(2R)-1-[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[(2S)-1-[[(2R)-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-methyl-3-oxidanyl-1-oxidanylidene-heptan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-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-[[(2R)-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-methyl-3-oxidanyl-1-oxidanylidene-heptan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-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-[[(1R)-1-[[(1S,2S)-4-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-hydroxy-1-isobutyl-4-oxo-butyl]carbamoyl]-3-methyl-butyl]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-[[(2R)-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-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-[[(2R)-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-4-methyl-1-oxopentan-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-[[(1R)-1-[[(1S,2S)-4-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-hydroxy-1-isobutyl-4-keto-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C51H74N10O9 MolecularWeight: 971.19486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N)O)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(CC4=CN=CN4)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC4=CN=CN4)NC(=O)C

InChI

InChI=1S/C51H74N10O9/c1-30(2)21-37(44(63)27-45(64)56-39(22-31(3)4)47(66)58-38(46(52)65)24-34-15-10-8-11-16-34)57-48(67)40(23-32(5)6)59-49(68)41(25-35-17-12-9-13-18-35)60-50(69)43-19-14-20-61(43)51(70)42(55-33(7)62)26-36-28-53-29-54-36/h8-13,15-18,28-32,37-44,63H,14,19-27H2,1-7H3,(H2,52,65)(H,53,54)(H,55,62)(H,56,64)(H,57,67)(H,58,66)(H,59,68)(H,60,69)/t37-,38-,39-,40+,41-,42-,43+,44-/m0/s1