(2S)-2-azanyl-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-azanyl-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-amino-4-[[(1S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-1-benzyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-2-amino-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-2-amino-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (2S)-2-amino-4-[[(1S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-1-benzyl-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C29H36N6O6S MolecularWeight: 596.69774

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CC(C(=O)O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CSCC[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[C@@H](C(=O)O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C29H36N6O6S/c1-42-12-11-23(34-26(37)20(30)14-18-16-32-22-10-6-5-9-19(18)22)27(38)35-28(39)24(13-17-7-3-2-4-8-17)33-25(36)15-21(31)29(40)41/h2-10,16,20-21,23-24,32H,11-15,30-31H2,1H3,(H,33,36)(H,34,37)(H,40,41)(H,35,38,39)/t20-,21-,23-,24-/m0/s1