(4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-azanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-azanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[[(1R)-5-amino-1-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(4H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-2-[[(1R)-5-amino-1-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]pentyl]amino]-1-benzyl-2-keto-ethyl]amino]-1-(4H-imidazol-4-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C35H46N8O8 MolecularWeight: 706.78854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CC3C=NC=N3)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C35H46N8O8/c36-16-8-7-13-26(32(47)43-29(35(50)51)18-23-11-5-2-6-12-23)40-33(48)27(17-22-9-3-1-4-10-22)42-34(49)28(19-24-20-38-21-39-24)41-31(46)25(37)14-15-30(44)45/h1-6,9-12,20-21,24-29H,7-8,13-19,36-37H2,(H,40,48)(H,41,46)(H,42,49)(H,43,47)(H,44,45)(H,50,51)/t24?,25-,26+,27-,28-,29-/m0/s1