cyclohexyl (3S)-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-oxidanylidene-3-[[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanoate

Systemtic Name: cyclohexyl (3S)-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-oxidanylidene-3-[[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanoate Openeye Name: cyclohexyl (3S)-3-[[(2R)-2-(benzylsulfonylamino)-3-phenyl-propanoyl]amino]-4-[[(1S)-4-guanidino-1-(thiazole-2-carbonyl)butyl]amino]-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(2-thiazolyl)pentan-2-yl]amino]-4-oxo-3-[[(2R)-1-oxo-3-phenyl-2-[(phenylmethyl)sulfonylamino]propyl]amino]butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (3S)-3-[[(2R)-2-(benzylsulfonylamino)-3-phenylpropanoyl]amino]-4-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-oxobutanoate Traditional Name: (3S)-3-[[(2R)-2-(benzylsulfonylamino)-3-phenyl-propanoyl]amino]-4-[[(1S)-4-guanidino-1-(thiazole-2-carbonyl)butyl]amino]-4-keto-butyric acid cyclohexyl ester Formula: C35H45N7O7S2 MolecularWeight: 739.9045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC(C(=O)NC(CCCN=C(N)N)C(=O)C2=NC=CS2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C2=NC=CS2)NC(=O)[C@@H](CC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C35H45N7O7S2/c36-35(37)39-18-10-17-27(31(44)34-38-19-20-50-34)40-32(45)28(22-30(43)49-26-15-8-3-9-16-26)41-33(46)29(21-24-11-4-1-5-12-24)42-51(47,48)23-25-13-6-2-7-14-25/h1-2,4-7,11-14,19-20,26-29,42H,3,8-10,15-18,21-23H2,(H,40,45)(H,41,46)(H4,36,37,39)/t27-,28-,29+/m0/s1