tert-butyl (3R,4S,5S)-4-[[(2S)-2-azanyl-3-phenyl-propanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoate

Systemtic Name: tert-butyl (3R,4S,5S)-4-[[(2S)-2-azanyl-3-phenyl-propanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoate Openeye Name: tert-butyl (3R,4S,5S)-4-[[(2S)-2-amino-3-phenyl-propanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoate CAS Name: (3R,4S,5S)-4-[[(2S)-2-amino-1-oxo-3-phenylpropyl]-methylamino]-3-methoxy-5-methylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4S,5S)-4-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-3-methoxy-5-methylheptanoate Traditional Name: (3R,4S,5S)-4-[[(2S)-2-amino-3-phenyl-propanoyl]-methyl-amino]-3-methoxy-5-methyl-enanthic acid tert-butyl ester Formula: C23H38N2O4 MolecularWeight: 406.55882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)OC(C)(C)C)OC)N(C)C(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C23H38N2O4/c1-8-16(2)21(19(28-7)15-20(26)29-23(3,4)5)25(6)22(27)18(24)14-17-12-10-9-11-13-17/h9-13,16,18-19,21H,8,14-15,24H2,1-7H3/t16-,18-,19+,21-/m0/s1