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

Systemtic Name: (3S)-3-[2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]ethanoylamino]-4-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[(2S)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]acetyl]amino]-4-[[(1S)-2-[(2S)-2-[[(1R)-2-hydroxy-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-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-4-[[(2S)-1-[(2S)-2-[[[(2R)-1-hydroxy-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-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]acetyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2R)-1-hydroxy-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-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-mercapto-propanoyl]amino]hexanoyl]amino]acetyl]amino]-4-[[(1S)-2-[(2S)-2-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrrolidino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C39H58N10O11S2 MolecularWeight: 907.06822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC3C(=O)NC(CS)C(=O)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CS)C(=O)O)N

InChI

InChI=1S/C39H58N10O11S2/c1-20(2)32(41)37(57)47-27(18-61)35(55)45-24(10-5-6-12-40)33(53)43-17-30(50)44-25(15-31(51)52)34(54)46-26(14-21-16-42-23-9-4-3-8-22(21)23)38(58)49-13-7-11-29(49)36(56)48-28(19-62)39(59)60/h3-4,8-9,16,20,24-29,32,42,61-62H,5-7,10-15,17-19,40-41H2,1-2H3,(H,43,53)(H,44,50)(H,45,55)(H,46,54)(H,47,57)(H,48,56)(H,51,52)(H,59,60)/t24-,25-,26-,27-,28-,29-,32-/m0/s1