(2R)-1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(1S)-2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]-6-methyl-3-oxidanyl-1-oxidanylidene-heptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(1S)-2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]-6-methyl-3-oxidanyl-1-oxidanylidene-heptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(1S)-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-cyclohexyl-2-oxo-ethyl]amino]-2-hydroxy-1-isobutyl-4-oxo-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(1S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(1S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(1S)-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-1-cyclohexyl-2-keto-ethyl]amino]-2-hydroxy-1-isobutyl-4-keto-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C53H72N12O9 MolecularWeight: 1021.21378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C1CCCCC1)C(=O)NC(CC2=CC=CC=C2)C(=O)N)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]5CCCN5C(=O)[C@H](CC6=CN=CN6)NC(=O)C

InChI

InChI=1S/C53H72N12O9/c1-32(2)22-39(45(67)27-46(68)64-47(36-18-11-6-12-19-36)52(73)61-40(48(54)69)23-34-14-7-4-8-15-34)60-50(71)42(25-37-28-55-30-57-37)62-49(70)41(24-35-16-9-5-10-17-35)63-51(72)44-20-13-21-65(44)53(74)43(59-33(3)66)26-38-29-56-31-58-38/h4-5,7-10,14-17,28-32,36,39-45,47,67H,6,11-13,18-27H2,1-3H3,(H2,54,69)(H,55,57)(H,56,58)(H,59,66)(H,60,71)(H,61,73)(H,62,70)(H,63,72)(H,64,68)/t39-,40-,41-,42-,43-,44+,45-,47-/m0/s1