(phenylmethyl) (2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-azanyl-3-methyl-pentanoyl]piperidin-2-yl]carbonylpiperidin-2-yl]carbonyl-methyl-amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-azanyl-3-methyl-pentanoyl]piperidin-2-yl]carbonylpiperidin-2-yl]carbonyl-methyl-amino]-3-phenyl-propanoate Openeye Name: benzyl (2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-amino-3-methyl-pentanoyl]piperidine-2-carbonyl]piperidine-2-carbonyl]-methyl-amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[[(2S)-1-[[(2R)-1-[(2S)-2-amino-3-methyl-1-oxopentyl]-2-piperidinyl]-oxomethyl]-2-piperidinyl]-oxomethyl]-methylamino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-amino-3-methylpentanoyl]piperidine-2-carbonyl]piperidine-2-carbonyl]-methylamino]-3-phenylpropanoate Traditional Name: (2R)-2-[[(2S)-1-[(2R)-1-[(2S)-2-amino-3-methyl-pentanoyl]pipecoloyl]pipecoloyl]-methyl-amino]-3-phenyl-propionic acid benzyl ester Formula: C35H48N4O5 MolecularWeight: 604.77942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCC1C(=O)N2CCCCC2C(=O)N(C)C(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCCC[C@@H]1C(=O)N2CCCC[C@H]2C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C35H48N4O5/c1-4-25(2)31(36)34(42)39-22-14-12-20-29(39)33(41)38-21-13-11-19-28(38)32(40)37(3)30(23-26-15-7-5-8-16-26)35(43)44-24-27-17-9-6-10-18-27/h5-10,15-18,25,28-31H,4,11-14,19-24,36H2,1-3H3/t25?,28-,29+,30+,31-/m0/s1