methyl 2-[(2-azanyl-3-methyl-pentanoyl)-(7-methyl-4-oxidanyl-2-propan-2-yl-octanoyl)amino]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 2-[(2-azanyl-3-methyl-pentanoyl)-(7-methyl-4-oxidanyl-2-propan-2-yl-octanoyl)amino]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-[(2-amino-3-methyl-pentanoyl)-(4-hydroxy-2-isopropyl-7-methyl-octanoyl)amino]-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[(2-amino-3-methyl-1-oxopentyl)-(4-hydroxy-7-methyl-1-oxo-2-propan-2-yloctyl)amino]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-methylpentanoyl)-(4-hydroxy-7-methyl-2-propan-2-yloctanoyl)amino]-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-[(2-amino-3-methyl-pentanoyl)-(4-hydroxy-2-isopropyl-7-methyl-octanoyl)amino]-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid methyl ester Formula: C36H53N3O7 MolecularWeight: 639.82192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(=O)C(CC(CCC(C)C)O)C(C)C)C(CC1=CC=CC=C1)(C(=O)OC)NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCC(C)C(C(=O)N(C(=O)C(CC(CCC(C)C)O)C(C)C)C(CC1=CC=CC=C1)(C(=O)OC)NC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C36H53N3O7/c1-8-26(6)31(37)33(42)39(32(41)30(25(4)5)21-29(40)20-19-24(2)3)36(34(43)45-7,22-27-15-11-9-12-16-27)38-35(44)46-23-28-17-13-10-14-18-28/h9-18,24-26,29-31,40H,8,19-23,37H2,1-7H3,(H,38,44)