methyl (3S,4R,5S)-4-[[(2S,3R)-2-azanyl-3-phenylmethoxy-butanoyl]amino]-5-methyl-3-oxidanyl-heptanoate

Systemtic Name: methyl (3S,4R,5S)-4-[[(2S,3R)-2-azanyl-3-phenylmethoxy-butanoyl]amino]-5-methyl-3-oxidanyl-heptanoate Openeye Name: methyl (3S,4R,5S)-4-[[(2S,3R)-2-amino-3-benzyloxy-butanoyl]amino]-3-hydroxy-5-methyl-heptanoate CAS Name: (3S,4R,5S)-4-[[(2S,3R)-2-amino-1-oxo-3-phenylmethoxybutyl]amino]-3-hydroxy-5-methylheptanoic acid methyl ester IUPAC Name: methyl (3S,4R,5S)-4-[[(2S,3R)-2-amino-3-phenylmethoxybutanoyl]amino]-3-hydroxy-5-methylheptanoate Traditional Name: (3S,4R,5S)-4-[[(2S,3R)-2-amino-3-benzoxy-butanoyl]amino]-3-hydroxy-5-methyl-enanthic acid methyl ester Formula: C20H32N2O5 MolecularWeight: 380.47848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)OC)O)NC(=O)C(C(C)OCC1=CC=CC=C1)N

Isomeric SMILES

CC[C@H](C)[C@H]([C@H](CC(=O)OC)O)NC(=O)[C@H]([C@@H](C)OCC1=CC=CC=C1)N

InChI

InChI=1S/C20H32N2O5/c1-5-13(2)19(16(23)11-17(24)26-4)22-20(25)18(21)14(3)27-12-15-9-7-6-8-10-15/h6-10,13-14,16,18-19,23H,5,11-12,21H2,1-4H3,(H,22,25)/t13-,14+,16-,18-,19+/m0/s1