[[2-(3-azanylpropanoylamino)-3-phenyl-propanoyl]-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]amino] methanoate

Systemtic Name: [[2-(3-azanylpropanoylamino)-3-phenyl-propanoyl]-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]amino] methanoate Openeye Name: [[2-(3-aminopropanoylamino)-3-phenyl-propanoyl]-[3-methylsulfanyl-1-(2-naphthylcarbamoyl)propyl]amino] formate CAS Name: formic acid [[2-[(3-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]-[4-(methylthio)-1-(2-naphthalenylamino)-1-oxobutan-2-yl]amino] ester IUPAC Name: [[2-(3-aminopropanoylamino)-3-phenylpropanoyl]-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]amino] formate Traditional Name: formic acid [[2-(3-aminopropanoylamino)-3-phenyl-propanoyl]-[3-(methylthio)-1-(2-naphthylcarbamoyl)propyl]amino] ester Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)N(C(=O)C(CC3=CC=CC=C3)NC(=O)CCN)OC=O

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)N(C(=O)C(CC3=CC=CC=C3)NC(=O)CCN)OC=O

InChI

InChI=1S/C28H32N4O5S/c1-38-16-14-25(27(35)30-23-12-11-21-9-5-6-10-22(21)18-23)32(37-19-33)28(36)24(31-26(34)13-15-29)17-20-7-3-2-4-8-20/h2-12,18-19,24-25H,13-17,29H2,1H3,(H,30,35)(H,31,34)