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

Systemtic Name: (4S)-4-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2R)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]propanoyl]amino]-5-[[(1S)-2-[[(1R)-2-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxopropyl]amino]-5-[[(2S)-1-[[(2R)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2R)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]propanoyl]amino]-5-[[(1S)-2-[[(1R)-2-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C23H36N8O10S2 MolecularWeight: 648.70954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CS)C(=O)NC(CO)C(=O)O)NC(=O)C(CS)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CS)N

InChI

InChI=1S/C23H36N8O10S2/c1-10(27-19(36)12(24)7-42)18(35)28-13(2-3-17(33)34)20(37)29-14(4-11-5-25-9-26-11)21(38)31-16(8-43)22(39)30-15(6-32)23(40)41/h5,9-10,12-16,32,42-43H,2-4,6-8,24H2,1H3,(H,25,26)(H,27,36)(H,28,35)(H,29,37)(H,30,39)(H,31,38)(H,33,34)(H,40,41)/t10-,12-,13-,14-,15-,16-/m0/s1