3-[(2-azanyl-3-sulfanyl-propyl)amino]-2,3-dimethyl-4-methylsulfonyl-2-[3-naphthalen-2-ylpropanoyl(pentoxy)amino]butanoic acid

Systemtic Name: 3-[(2-azanyl-3-sulfanyl-propyl)amino]-2,3-dimethyl-4-methylsulfonyl-2-[3-naphthalen-2-ylpropanoyl(pentoxy)amino]butanoic acid Openeye Name: 3-[(2-amino-3-sulfanyl-propyl)amino]-2,3-dimethyl-4-methylsulfonyl-2-[3-(2-naphthyl)propanoyl-pentoxy-amino]butanoic acid CAS Name: 3-[(2-amino-3-mercaptopropyl)amino]-2,3-dimethyl-4-methylsulfonyl-2-[[3-(2-naphthalenyl)-1-oxopropyl]-pentoxyamino]butanoic acid IUPAC Name: 3-[(2-amino-3-sulfanylpropyl)amino]-2,3-dimethyl-4-methylsulfonyl-2-[3-naphthalen-2-ylpropanoyl(pentoxy)amino]butanoic acid Traditional Name: 3-[(2-amino-3-mercapto-propyl)amino]-2-[amoxy-[3-(2-naphthyl)propanoyl]amino]-4-mesyl-2,3-dimethyl-butyric acid Formula: C28H43N3O6S2 MolecularWeight: 581.78752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCON(C(=O)CCC1=CC2=CC=CC=C2C=C1)C(C)(C(=O)O)C(C)(CS(=O)(=O)C)NCC(CS)N

Isomeric SMILES

CCCCCON(C(=O)CCC1=CC2=CC=CC=C2C=C1)C(C)(C(=O)O)C(C)(CS(=O)(=O)C)NCC(CS)N

InChI

InChI=1S/C28H43N3O6S2/c1-5-6-9-16-37-31(25(32)15-13-21-12-14-22-10-7-8-11-23(22)17-21)28(3,26(33)34)27(2,20-39(4,35)36)30-18-24(29)19-38/h7-8,10-12,14,17,24,30,38H,5-6,9,13,15-16,18-20,29H2,1-4H3,(H,33,34)