(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-N-[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-N-[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]hexanamide Openeye Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-N-[(1S)-1-benzyl-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-[[(1S)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]hexanamide CAS Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-N-[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-N-[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide Traditional Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]-N-[(1S)-1-benzyl-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[[(1S)-2-keto-1-methyl-ethyl]amino]ethyl]amino]-2-keto-ethyl]hexanamide Formula: C38H50N10O6S MolecularWeight: 774.932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)C(CC4=CN=CN4)N

Isomeric SMILES

C[C@@H](C=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C38H50N10O6S/c1-23(20-49)44-36(52)32(16-25-18-42-29-12-6-5-11-27(25)29)47-37(53)31(15-24-9-3-2-4-10-24)46-35(51)30(13-7-8-14-39)45-38(54)33(21-55)48-34(50)28(40)17-26-19-41-22-43-26/h2-6,9-12,18-20,22-23,28,30-33,42,55H,7-8,13-17,21,39-40H2,1H3,(H,41,43)(H,44,52)(H,45,54)(H,46,51)(H,47,53)(H,48,50)/t23-,28-,30-,31-,32-,33-/m0/s1