(3S)-3-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-4-[[(1S)-2-[[(1S)-2-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-4-[[(1S)-2-[[(1S)-2-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C29H37N9O9S MolecularWeight: 687.72398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CS)C(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C29H37N9O9S/c30-17(5-6-23(31)39)25(42)35-21(9-24(40)41)28(45)37-20(8-15-11-32-13-34-15)27(44)36-19(26(43)38-22(12-48)29(46)47)7-14-10-33-18-4-2-1-3-16(14)18/h1-4,10-11,13,17,19-22,33,48H,5-9,12,30H2,(H2,31,39)(H,32,34)(H,35,42)(H,36,44)(H,37,45)(H,38,43)(H,40,41)(H,46,47)/t17-,19-,20-,21-,22-/m0/s1