2-[5-[2-acetamido-3-[4-azanyl-3-(2-hydroxyethyl)phenyl]propanoyl]oxypentanoyl-methyl-amino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[5-[2-acetamido-3-[4-azanyl-3-(2-hydroxyethyl)phenyl]propanoyl]oxypentanoyl-methyl-amino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[5-[2-acetamido-3-[4-amino-3-(2-hydroxyethyl)phenyl]propanoyl]oxypentanoyl-methyl-amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[5-[2-acetamido-3-[4-amino-3-(2-hydroxyethyl)phenyl]-1-oxopropoxy]-1-oxopentyl]-methylamino]-3-(methylthio)propanoic acid IUPAC Name: 2-[5-[2-acetamido-3-[4-amino-3-(2-hydroxyethyl)phenyl]propanoyl]oxypentanoyl-methylamino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[5-[2-acetamido-3-[4-amino-3-(2-hydroxyethyl)phenyl]propanoyl]oxypentanoyl-methyl-amino]-3-(methylthio)propionic acid Formula: C23H35N3O7S MolecularWeight: 497.6049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)N)CCO)C(=O)OCCCCC(=O)N(C)C(CSC)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)N)CCO)C(=O)OCCCCC(=O)N(C)C(CSC)C(=O)O

InChI

InChI=1S/C23H35N3O7S/c1-15(28)25-19(13-16-7-8-18(24)17(12-16)9-10-27)23(32)33-11-5-4-6-21(29)26(2)20(14-34-3)22(30)31/h7-8,12,19-20,27H,4-6,9-11,13-14,24H2,1-3H3,(H,25,28)(H,30,31)