(4S)-4-azanyl-5-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-benzyl-2-[[2-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-benzyl-2-[[2-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methylol-ethyl]amino]-5-keto-valeric acid Formula: C30H41N9O11 MolecularWeight: 703.70024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NC(CC2=CN=CN2)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)N[C@@H](CC2=CN=CN2)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C30H41N9O11/c31-18(6-9-25(43)44)26(45)39-22(14-40)29(48)37-19(7-8-23(32)41)28(47)38-20(10-16-4-2-1-3-5-16)27(46)34-13-24(42)36-21(30(49)50)11-17-12-33-15-35-17/h1-5,12,15,18-22,40H,6-11,13-14,31H2,(H2,32,41)(H,33,35)(H,34,46)(H,36,42)(H,37,48)(H,38,47)(H,39,45)(H,43,44)(H,49,50)/t18-,19-,20-,21-,22-/m0/s1