(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-3-naphthalen-2-yl-propanamide

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-3-naphthalen-2-yl-propanamide Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(1R)-2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]-3-(2-naphthyl)propanamide CAS Name: (2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-N-[(2R)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]-3-(2-naphthalenyl)propanamide IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]-3-naphthalen-2-ylpropanamide Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(1R)-2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]-3-(2-naphthyl)propionamide Formula: C35H38N8O5S MolecularWeight: 682.79182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CS)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C35H38N8O5S/c1-20(44)40-30(15-25-17-37-19-39-25)34(47)42-29(13-21-10-11-22-6-2-3-7-23(22)12-21)33(46)43-31(18-49)35(48)41-28(32(36)45)14-24-16-38-27-9-5-4-8-26(24)27/h2-12,16-17,19,28-31,38,49H,13-15,18H2,1H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,48)(H,42,47)(H,43,46)/t28-,29-,30-,31-/m0/s1