Subtilisin

C45H68N10O15CAS 9014-01-1989.09 g/mol

Open in Covalent MOL file
ONHONHONHONONHONHONHONHHOOHOHOOH2NHOOH2N
AlcoholAmideCarboxylic acidLactamPhenol

Properties

Molecular formula
C45H68N10O15
Molar mass
989.09 g/mol
Exact mass
988.4866 Da
logP
-3.54Crippen estimate
Polar surface area
408.2 Ų
H-bond donors / acceptors
13 / 14
Rotatable bonds
18
Stereocentres
S, R, R, S, S, R, S, Rin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 647-012-00-8), via PubChem.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number
9014-01-1
SMILES
CCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CO)CCC(=O)O)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N
InChIKey
VLKSXJAPRDAENT-OWGHDAAGSA-N
InChI
InChI=1S/C45H68N10O15/c1-3-4-5-6-7-8-10-26-20-36(61)49-30(21-34(46)59)41(66)51-29(19-25-12-14-27(58)15-13-25)40(65)52-31(22-35(47)60)45(70)55-18-9-11-33(55)43(68)50-28(16-17-37(62)63)39(64)53-32(23-56)42(67)54-38(24(2)57)44(69)48-26/h12-15,24,26,28-33,38,56-58H,3-11,16-23H2,1-2H3,(H2,46,59)(H2,47,60)(H,48,69)(H,49,61)(H,50,68)(H,51,66)(H,52,65)(H,53,64)(H,54,67)(H,62,63)/t24-,26?,28+,29-,30+,31-,32-,33+,38+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

172 names · show all
  • E.C. 3.4.4.16
  • Subtilisin carlsberg
  • Maxatase
  • ALK-enzyme
  • E.C. 3.4.21.14
  • EC 3.4.21.14
  • Bioprase
  • Colistinase
  • Proteinase, Bacillussubtilis alkaline
  • Thermoase PC 10
  • EC 3.4.4.16
  • Bacillus subtilis alk. proteinase
  • Bacillus subtilis alkaline proteinase
  • Peptidase, subtilo-, A
  • Bacillopeptidase A
  • Bacillopeptidase B
  • Bacillussubtilis Alkaline proteinase
  • SP 266
  • Superase
  • Nagarse
  • Savinase 4.0T
  • Savinase 8.0L
  • Savinase
  • Subtilopeptidase
  • Savinase 16.0L
  • Alcalase
  • Alcalase 0.6L
  • Kazusase
  • Protease XXVII
  • Protease VIII
  • Bioprase AL 15
  • Opticlean
  • Esperase
  • Orientase 10B
  • Bioprase APL 30
  • E.C. 3.4.21.62
  • EC 3.4.21.62
  • Protin A 3L
  • Genenase I
  • Alcalase 2.5L
  • Savinase 32.0 L-EX
  • Maxacal
  • Bioprase SP 20
  • Maxacal CX600K
  • Bioprase conc
  • Bioprase PN 4
  • Savinase 16.0L-EX
  • Savinase 12T
  • ChiroCLEC-BL
  • Protin A
  • Savinase 4T
  • Chirazyme P 1
  • Alcalase 2.4L
  • Serine alkaline protease
  • Savinase 12.0T
  • Savinase 18.0T-W
  • Savinase L16 EX
  • Purafect L
  • Properase L
  • Extretex
  • Esperase 8.0L
  • Spezyme FAN
  • BLAP 260
  • BLAP S
  • Evertase 24 LDP
  • Bioprase SP
  • Genenase
  • Kannase
  • Savinase 16.0T
  • Esperase 8.0
  • Bioprase 30G
  • Orientase 22B
  • Properase
  • Savinase 6T
  • Alcalase 6.0T
  • Bioprase SP 4
  • Necrolytin G
  • Rohazym ML
  • Profezym
  • Maxacal L
  • APB-72
  • Bioprase SP 10
  • Novolan T
  • Bioblase SP-15 FG
  • M-Protease
  • ChiroCLEC CRO
  • Dafazyme PR B
  • Alcalase 2.0M
  • Properase 1000E
  • Validase TSP concentrate II
  • Proleather FG-F
  • Purafect
  • Purafect OX
  • Maxatase XL
  • Protin A 10LF
  • Bioprase NYS
  • Savinase 16L
  • Protolichetrem
  • Savinase 12TXT
  • Sumizyme CP
  • Alcalase 2.4FG
  • YN-NL Amano
  • Savinase 6.0T
  • Savinase TM
  • Ovozyme 24T
  • Bioprotease B 10L
  • Prolyve 1000
  • Alkalase AF 2.4
  • Savinase 16.0
  • Alcalase 2.4L FG
  • Proteinase type XXIV
  • Bioprase SP 15FG
  • Novozym FM
  • KAP protease
  • Subtilisin DFE
  • Relase 16.0 L EXI
  • PW 102
  • Alcalase 2.5L type DX
  • Protin NY
  • Subtilisin KL
  • Savinase ultra 16L
  • Alcalase 2.5L-DX
  • Esperase 7.5L
  • Protemax N-200
  • Protin SD-AY 10
  • Bacillus subtilis alkaline protease
  • Esperase 6.0T
  • Protease type VIII
  • Protemax 580L
  • Protex multiplus L
  • Protex gentle L
  • Protex 40L
  • Protex 30L
  • Orientase 22BF
  • Prionzyme
  • Savinase 16XL
  • Tricozyme ML 3
  • Aroase NS
  • Savinase 16L, type EX
  • Savinase 16LEX
  • Protin SD-PC10F1
  • Alcalase 1.5L
  • Novozym 80001
  • Protamex
  • Protamex MG
  • Protamex 1.5MG
  • Preprosubtilisin
  • Biosoak
  • Liquanase 2.5L
  • Liquanase ultra
  • Everlase
  • Liquanase
  • Savinase 8.0T
  • Protin SD-PC10F
  • Liquanase ultra 2.0XL
  • Savinase 24.0GTT
  • Enzol
  • Enzycare 2
  • Savinase 8.0
  • Savinase 18T
  • Savinase U 16XL
  • Omniligase-1
  • FoodPro PXT
  • Properase L 1600
  • Savinase evity 16L
  • Blaze evity 125 T
  • Evity 16L
  • Liquanase evity
  • Progress uno 100L
  • Effectenz P 2000
  • Alcalase-2.5-type DX
  • Bacillomycin

Work with Subtilisin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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