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

Systemtic Name: ethyl (2S)-2-[[(2S)-2-azanyl-3-(3,4-diacetyloxyphenyl)propanoyl]amino]-4-methyl-pentanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O7/c1-6-28-21(27)17(9-12(2)3)23-20(26)16(22)10-15-7-8-18(29-13(4)24)19(11-15)30-14(5)25/h7-8,11-12,16-17H,6,9-10,22H2,1-5H3,(H,23,26)/t16-,17-/m0/s1