(phenylmethyl) (2S)-2-[[(2S)-2-[[(2S,3R)-1-[(2S)-2-azanyl-3,3-dimethyl-butanoyl]-3-pyrrolidin-1-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-[[(2S,3R)-1-[(2S)-2-azanyl-3,3-dimethyl-butanoyl]-3-pyrrolidin-1-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-[[(2S,3R)-1-[(2S)-2-amino-3,3-dimethyl-butanoyl]-3-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonyl]amino]-4-benzyloxy-4-oxo-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[[(2S,3R)-1-[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]-3-[oxo(1-pyrrolidinyl)methyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxo-4-phenylmethoxybutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-[[(2S,3R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-(pyrrolidine-1-carbonyl)pyrrolidine-2-carbonyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3R)-1-[(2S)-2-amino-3,3-dimethyl-butanoyl]-3-(pyrrolidine-1-carbonyl)prolyl]amino]-4-benzoxy-4-keto-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C40H55N5O8 MolecularWeight: 733.8934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)C3C(CCN3C(=O)C(C(C)(C)C)N)C(=O)N4CCCC4

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H](C(C)(C)C)N)C(=O)N4CCCC4

InChI

InChI=1S/C40H55N5O8/c1-26(2)22-31(39(51)53-25-28-16-10-7-11-17-28)43-35(47)30(23-32(46)52-24-27-14-8-6-9-15-27)42-36(48)33-29(37(49)44-19-12-13-20-44)18-21-45(33)38(50)34(41)40(3,4)5/h6-11,14-17,26,29-31,33-34H,12-13,18-25,41H2,1-5H3,(H,42,48)(H,43,47)/t29-,30+,31+,33+,34-/m1/s1