butyl (2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]pentanoate

Systemtic Name: butyl (2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]pentanoate Openeye Name: butyl (2S)-2-[[(2S)-2-[[(2S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]pentanoic acid butyl ester IUPAC Name: butyl (2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid butyl ester Formula: C35H50N4O7 MolecularWeight: 638.7941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C35H50N4O7/c1-7-8-19-45-33(43)29(20-24(2)3)39-32(42)28(22-26-17-13-10-14-18-26)38-31(41)27(21-25-15-11-9-12-16-25)37-30(40)23-36-34(44)46-35(4,5)6/h9-18,24,27-29H,7-8,19-23H2,1-6H3,(H,36,44)(H,37,40)(H,38,41)(H,39,42)/t27-,28-,29-/m0/s1