(3S)-3-[2-[[(2S)-6-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]hexanoyl]amino]ethanoylamino]-4-[[(2S)-1-[(2S)-2-[[(2R)-1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[[(2S)-6-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]hexanoyl]amino]ethanoylamino]-4-[[(2S)-1-[(2S)-2-[[(2R)-1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]hexanoyl]amino]acetyl]amino]-4-[[(1S)-2-[(2S)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrrolidin-1-yl]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-4-[[(2S)-1-[(2S)-2-[[[(2R)-1-amino-3-mercapto-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]acetyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]hexanoyl]amino]acetyl]amino]-4-[[(1S)-2-[(2S)-2-[[(1R)-2-amino-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C34H50N10O9S2 MolecularWeight: 806.9524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CS)N)C(=O)NC(CS)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)N)C(=O)N[C@@H](CS)C(=O)N

InChI

InChI=1S/C34H50N10O9S2/c35-10-4-3-8-22(41-30(49)20(36)16-54)31(50)39-15-27(45)40-23(13-28(46)47)32(51)42-24(12-18-14-38-21-7-2-1-6-19(18)21)34(53)44-11-5-9-26(44)33(52)43-25(17-55)29(37)48/h1-2,6-7,14,20,22-26,38,54-55H,3-5,8-13,15-17,35-36H2,(H2,37,48)(H,39,50)(H,40,45)(H,41,49)(H,42,51)(H,43,52)(H,46,47)/t20-,22-,23-,24-,25-,26-/m0/s1