Nonapeptide-1

C61H87N15O9SCAS 158563-45-21206.52 g/mol

Open in Covalent MOL file
OH2NHNONONH2HNOHNOHNHNONH2NNH2NHONHONOSNH2
AmideGuanidinePrimary amineSulfide

Properties

Molecular formula
C61H87N15O9S
Molar mass
1206.52 g/mol
Exact mass
1205.6532 Da
logP
0.49Crippen estimate
Polar surface area
390.5 Ų
H-bond donors / acceptors
12 / 13
Rotatable bonds
33
Stereocentres
S, S, S, S, R, S, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
158563-45-2
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCSC)N
InChIKey
KNFLNGRLKALWRF-LDXSYGEZSA-N
InChI
InChI=1S/C61H87N15O9S/c1-37(2)51(52(64)77)74-58(83)50-26-16-31-76(50)60(85)45(23-12-13-28-62)70-55(80)46(33-38-17-6-4-7-18-38)71-56(81)48(35-40-36-68-43-22-11-10-21-41(40)43)72-53(78)44(24-14-29-67-61(65)66)69-54(79)47(34-39-19-8-5-9-20-39)73-57(82)49-25-15-30-75(49)59(84)42(63)27-32-86-3/h4-11,17-22,36-37,42,44-51,68H,12-16,23-35,62-63H2,1-3H3,(H2,64,77)(H,69,79)(H,70,80)(H,71,81)(H,72,78)(H,73,82)(H,74,83)(H4,65,66,67)/t42-,44-,45-,46-,47+,48+,49-,50-,51-/m0/s1

Weigh it out

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

Work with Nonapeptide-1

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

Similar compounds

Substance P33507-63-064 % similar Vapreotide103222-11-357 % similar Endomorphin-1189388-22-557 % similar Alpha-msh581-05-555 % similar Acth (1-17)7266-47-954 % similar Acth (4-11)67224-41-353 % similar Cosyntropin16960-16-053 % similar Met-glu-his-phe-arg-trp-gly4037-01-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook