methyl (2S)-2-[[(3S)-2-azanyl-3-methyl-pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(3S)-2-azanyl-3-methyl-pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(3S)-2-amino-3-methyl-pentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3S)-2-amino-3-methylpentoxy]-(1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(3S)-2-amino-3-methylpentoxy]-(3-phenylpropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3S)-2-amino-3-methyl-pentoxy]-hydrocinnamoyl-amino]-4-(methylthio)butyric acid methyl ester Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CON(C(CCSC)C(=O)OC)C(=O)CCC1=CC=CC=C1)N

Isomeric SMILES

CC[C@H](C)C(CON([C@@H](CCSC)C(=O)OC)C(=O)CCC1=CC=CC=C1)N

InChI

InChI=1S/C21H34N2O4S/c1-5-16(2)18(22)15-27-23(19(13-14-28-4)21(25)26-3)20(24)12-11-17-9-7-6-8-10-17/h6-10,16,18-19H,5,11-15,22H2,1-4H3/t16-,18?,19-/m0/s1