Acth (4-11)

C₅₀H₇₁N₁₅O₁₁SCAS 67224-41-31090.27 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Guanidine Imine Primary amine Sulfide

Properties

Molecular formula: C₅₀H₇₁N₁₅O₁₁S
Molar mass: 1090.27 g/mol
Exact mass: 1089.5178 Da
logP: -1.94Crippen estimate
Polar surface area: 435.2 Å²
H-bond donors / acceptors: 14 / 15
Rotatable bonds: 35
Stereocentres: S, S, S, S, S, 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

67224-41-3

SMILES

CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)N

InChIKey

LJBZCIYFOJCRAM-AZNQTTJCSA-N

InChI

InChI=1S/C50H71N15O11S/c1-77-21-18-33(52)43(69)61-36(16-17-42(67)68)46(72)65-40(24-31-26-55-28-59-31)48(74)63-38(22-29-10-3-2-4-11-29)47(73)62-35(15-9-20-56-50(53)54)45(71)64-39(23-30-25-57-34-13-6-5-12-32(30)34)44(70)58-27-41(66)60-37(49(75)76)14-7-8-19-51/h2-6,10-13,25-26,28,31,33,35-40,57H,7-9,14-24,27,51-52H2,1H3,(H,58,70)(H,60,66)(H,61,69)(H,62,73)(H,63,74)(H,64,71)(H,65,72)(H,67,68)(H,75,76)(H4,53,54,56)/t31?,33-,35-,36-,37-,38-,39-,40-/m0/s1

Weigh it out

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

Work with Acth (4-11)

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

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

Elsewhere

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