(E,4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-methyl-3-phenyl-butanoyl]-methyl-amino]-3-methyl-3-[4-(phenylcarbonyl)phenyl]butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid

Systemtic Name: (E,4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-methyl-3-phenyl-butanoyl]-methyl-amino]-3-methyl-3-[4-(phenylcarbonyl)phenyl]butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid Openeye Name: (E,4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methyl-3-phenyl-butanoyl]-methyl-amino]-3-(4-benzoylphenyl)-3-methyl-butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid CAS Name: (E,4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methyl-1-oxo-3-phenylbutyl]-methylamino]-3-(4-benzoylphenyl)-3-methyl-1-oxobutyl]amino]-3,3-dimethyl-1-oxobutyl]-methylamino]-2,5-dimethyl-2-hexenoic acid IUPAC Name: (E,4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methyl-3-phenylbutanoyl]-methylamino]-3-(4-benzoylphenyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid Traditional Name: (E,4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methyl-3-phenyl-butanoyl]-methyl-amino]-3-(4-benzoylphenyl)-3-methyl-butanoyl]amino]-3,3-dimethyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid Formula: C45H60N4O6 MolecularWeight: 752.9811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)N(C)C(=O)C(C(C)(C)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](C(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)N(C)C(=O)[C@H](C(C)(C)C3=CC=CC=C3)N

InChI

InChI=1S/C45H60N4O6/c1-28(2)34(27-29(3)42(54)55)48(11)41(53)37(43(4,5)6)47-39(51)38(49(12)40(52)36(46)44(7,8)32-21-17-14-18-22-32)45(9,10)33-25-23-31(24-26-33)35(50)30-19-15-13-16-20-30/h13-28,34,36-38H,46H2,1-12H3,(H,47,51)(H,54,55)/b29-27+/t34-,36-,37-,38+/m1/s1