(3S)-3-[2-[ethyl-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pentanoyl]amino]ethanoylamino]-4-[[(2S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[ethyl-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pentanoyl]amino]ethanoylamino]-4-[[(2S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-1-benzyloxycarbonyl-2-methyl-propyl]amino]-3-[[2-[5-(1-tert-butoxycarbonyl-4-piperidyl)pentanoyl-ethyl-amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[ethyl-[5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[ethyl-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pentanoyl]amino]acetyl]amino]-4-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[5-(1-tert-butoxycarbonyl-4-piperidyl)pentanoyl-ethyl-amino]acetyl]amino]-4-[[(1S)-1-carbobenzoxy-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C35H54N4O9 MolecularWeight: 674.82466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)OCC1=CC=CC=C1)C(=O)CCCCC2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)C(=O)CCCCC2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H54N4O9/c1-7-38(29(41)16-12-11-13-25-17-19-39(20-18-25)34(46)48-35(4,5)6)22-28(40)36-27(21-30(42)43)32(44)37-31(24(2)3)33(45)47-23-26-14-9-8-10-15-26/h8-10,14-15,24-25,27,31H,7,11-13,16-23H2,1-6H3,(H,36,40)(H,37,44)(H,42,43)/t27-,31-/m0/s1