(2R)-N-[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide

Systemtic Name: (2R)-N-[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide Openeye Name: (2R)-2-(benzylsulfonylamino)-N-[(1S)-2-[[(1S)-4-guanidino-1-(thiazole-2-carbonyl)butyl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-3-phenyl-propanamide CAS Name: (2R)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(2-thiazolyl)pentan-2-yl]amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide IUPAC Name: (2R)-2-(benzylsulfonylamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-phenylpropanamide Traditional Name: (2R)-2-(benzylsulfonylamino)-N-[(1S)-2-[[(1S)-4-guanidino-1-(thiazole-2-carbonyl)butyl]amino]-2-keto-1-(2-naphthylmethyl)ethyl]-3-phenyl-propionamide Formula: C38H41N7O5S2 MolecularWeight: 739.90604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CCCN=C(N)N)C(=O)C4=NC=CS4)NS(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C4=NC=CS4)NS(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C38H41N7O5S2/c39-38(40)42-19-9-16-31(34(46)37-41-20-21-51-37)43-35(47)32(24-28-17-18-29-14-7-8-15-30(29)22-28)44-36(48)33(23-26-10-3-1-4-11-26)45-52(49,50)25-27-12-5-2-6-13-27/h1-8,10-15,17-18,20-22,31-33,45H,9,16,19,23-25H2,(H,43,47)(H,44,48)(H4,39,40,42)/t31-,32-,33+/m0/s1