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

Systemtic Name: (2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: (2R)-3-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxo-propane-1-sulfonic acid CAS Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-oxo-1-propanesulfonic acid IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropane-1-sulfonic acid Traditional Name: (2R)-3-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-keto-propane-1-sulfonic acid Formula: C28H36N6O7S2 MolecularWeight: 632.75144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N6O7S2/c1-42-12-11-22(32-26(36)20(29)14-18-15-31-21-10-6-5-9-19(18)21)27(37)34-24(16-43(39,40)41)28(38)33-23(25(30)35)13-17-7-3-2-4-8-17/h2-10,15,20,22-24,31H,11-14,16,29H2,1H3,(H2,30,35)(H,32,36)(H,33,38)(H,34,37)(H,39,40,41)/t20-,22-,23-,24-/m0/s1