2-methylbutyl 6-methyl-2-[[2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-pyridin-4-yl-propanoyl]amino]-2-oxidanyl-heptanoate

Systemtic Name: 2-methylbutyl 6-methyl-2-[[2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-pyridin-4-yl-propanoyl]amino]-2-oxidanyl-heptanoate Openeye Name: 2-methylbutyl 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1-naphthyl)propanoyl]amino]-3-(4-pyridyl)propanoyl]amino]-2-hydroxy-6-methyl-heptanoate CAS Name: 2-hydroxy-6-methyl-2-[[2-[[3-(1-naphthalenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxo-3-pyridin-4-ylpropyl]amino]heptanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-hydroxy-6-methyl-2-[[2-[[3-naphthalen-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-pyridin-4-ylpropanoyl]amino]heptanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-(1-naphthyl)propanoyl]amino]-3-(4-pyridyl)propanoyl]amino]-2-hydroxy-6-methyl-enanthic acid 2-methylbutyl ester Formula: C42H52N4O7 MolecularWeight: 724.88488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C(CCCC(C)C)(NC(=O)C(CC1=CC=NC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CCC(C)COC(=O)C(CCCC(C)C)(NC(=O)C(CC1=CC=NC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C42H52N4O7/c1-5-30(4)27-52-40(49)42(51,22-12-13-29(2)3)46-39(48)36(25-31-20-23-43-24-21-31)44-38(47)37(45-41(50)53-28-32-14-7-6-8-15-32)26-34-18-11-17-33-16-9-10-19-35(33)34/h6-11,14-21,23-24,29-30,36-37,51H,5,12-13,22,25-28H2,1-4H3,(H,44,47)(H,45,50)(H,46,48)