methyl (2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-5-(4-methoxyphenyl)pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-5-(4-methoxyphenyl)pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-5-(4-methoxyphenyl)pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-5-(4-methoxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(4-methoxyphenyl)pentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-5-(4-methoxyphenyl)valeric acid methyl ester Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCC1=CC=C(C=C1)OC)C(=O)OC)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCC1=CC=C(C=C1)OC)C(=O)OC)N

InChI

InChI=1S/C18H28N2O4/c1-12(2)16(19)17(21)20-15(18(22)24-4)7-5-6-13-8-10-14(23-3)11-9-13/h8-12,15-16H,5-7,19H2,1-4H3,(H,20,21)/t15-,16-/m0/s1