methyl (2S,5S)-2-[2-azanylethanoyl(propyl)amino]-5-formamido-7-methylsulfanyl-4-oxidanylidene-3-phenyl-2-propyl-heptanoate

Systemtic Name: methyl (2S,5S)-2-[2-azanylethanoyl(propyl)amino]-5-formamido-7-methylsulfanyl-4-oxidanylidene-3-phenyl-2-propyl-heptanoate Openeye Name: methyl (2S,5S)-2-[(2-aminoacetyl)-propyl-amino]-5-formamido-7-methylsulfanyl-4-oxo-3-phenyl-2-propyl-heptanoate CAS Name: (2S,5S)-2-[(2-amino-1-oxoethyl)-propylamino]-5-formamido-7-(methylthio)-4-oxo-3-phenyl-2-propylheptanoic acid methyl ester IUPAC Name: methyl (2S,5S)-2-[(2-aminoacetyl)-propylamino]-5-formamido-7-methylsulfanyl-4-oxo-3-phenyl-2-propylheptanoate Traditional Name: (2S,5S)-5-formamido-2-[glycyl(propyl)amino]-4-keto-7-(methylthio)-3-phenyl-2-propyl-enanthic acid methyl ester Formula: C24H37N3O5S MolecularWeight: 479.63268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC=CC=C1)C(=O)C(CCSC)NC=O)(C(=O)OC)N(CCC)C(=O)CN

Isomeric SMILES

CCC[C@](C(C1=CC=CC=C1)C(=O)[C@H](CCSC)NC=O)(C(=O)OC)N(CCC)C(=O)CN

InChI

InChI=1S/C24H37N3O5S/c1-5-13-24(23(31)32-3,27(14-6-2)20(29)16-25)21(18-10-8-7-9-11-18)22(30)19(26-17-28)12-15-33-4/h7-11,17,19,21H,5-6,12-16,25H2,1-4H3,(H,26,28)/t19-,21?,24-/m0/s1