chempirical

Decapeptide-12

C65H90N18O17CAS 137665-91-91395.54 g/mol

Open in Covalent MOL file
NHOHNOHOOHNHOHONHOOHNHOHONHONH2HNONNH2H2NNHOOHHNONNH2NH2HNOHONH2
AlcoholAmideCarboxylic acidGuanidinePhenolPrimary amine

Properties

Molecular formula
C65H90N18O17
Molar mass
1395.54 g/mol
Exact mass
1394.6731 Da
logP
-5.46Crippen estimate
Polar surface area
617.2 Ų
H-bond donors / acceptors
23 / 20
Rotatable bonds
42

Identifiers

CAS number
137665-91-9
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC5=CC=C(C=C5)O)N
InChIKey
OYVFAMLECFSFEI-UHFFFAOYSA-N
InChI
InChI=1S/C65H90N18O17/c66-24-4-3-9-45(76-55(91)47(11-6-26-73-65(70)71)77-60(96)51(32-84)81-57(93)46(10-5-25-72-64(68)69)75-54(90)43(67)27-35-12-18-39(87)19-13-35)56(92)78-48(28-36-14-20-40(88)21-15-36)58(94)82-53(34-86)62(98)83-52(33-85)61(97)79-49(30-38-31-74-44-8-2-1-7-42(38)44)59(95)80-50(63(99)100)29-37-16-22-41(89)23-17-37/h1-2,7-8,12-23,31,43,45-53,74,84-89H,3-6,9-11,24-30,32-34,66-67H2,(H,75,90)(H,76,91)(H,77,96)(H,78,92)(H,79,97)(H,80,95)(H,81,93)(H,82,94)(H,83,98)(H,99,100)(H4,68,69,72)(H4,70,71,73)

Weigh it out

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

Work with Decapeptide-12

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

Vapreotide103222-11-359 % similar Melanotan-II121062-08-646 % similar Cys-asp-pro-gly-tyr-ile-gly-ser-arg110590-60-844 % similar Sams peptide125911-68-443 % similar Argipressine113-79-142 % similar Seractide12279-41-341 % similar D-Tryptophan153-94-641 % similar (±)-Tryptophan54-12-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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