2-azanyl-4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-2-(2-methylsulfanylethyl)-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 2-azanyl-4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-2-(2-methylsulfanylethyl)-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 2-amino-4-[(2-amino-4-methylsulfanyl-butanoyl)amino]-2-(2-methylsulfanylethyl)-3-oxo-5-phenyl-pentanoic acid CAS Name: 2-amino-4-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-2-[2-(methylthio)ethyl]-3-oxo-5-phenylpentanoic acid IUPAC Name: 2-amino-4-[(2-amino-4-methylsulfanylbutanoyl)amino]-2-(2-methylsulfanylethyl)-3-oxo-5-phenylpentanoic acid Traditional Name: 2-amino-4-[[2-amino-4-(methylthio)butanoyl]amino]-3-keto-2-[2-(methylthio)ethyl]-5-phenyl-valeric acid Formula: C19H29N3O4S2 MolecularWeight: 427.58126

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)C(CCSC)(C(=O)O)N)N

Isomeric SMILES

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)C(CCSC)(C(=O)O)N)N

InChI

InChI=1S/C19H29N3O4S2/c1-27-10-8-14(20)17(24)22-15(12-13-6-4-3-5-7-13)16(23)19(21,18(25)26)9-11-28-2/h3-7,14-15H,8-12,20-21H2,1-2H3,(H,22,24)(H,25,26)