methyl (2S)-2-[[(2S)-2-azanyl-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-(3,4-diacetoxyphenyl)propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-3-(3,4-diacetyloxyphenyl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(3,4-diacetoxyphenyl)propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H28N2O7 MolecularWeight: 408.44552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O7/c1-11(2)8-16(20(26)27-5)22-19(25)15(21)9-14-6-7-17(28-12(3)23)18(10-14)29-13(4)24/h6-7,10-11,15-16H,8-9,21H2,1-5H3,(H,22,25)/t15-,16-/m0/s1