(4R)-4-[4-[bis(azanyl)methylideneamino]butyl-naphthalen-2-ylsulfonyl-amino]-6-oxidanyl-5-oxidanylidene-hexanoic acid

Systemtic Name: (4R)-4-[4-[bis(azanyl)methylideneamino]butyl-naphthalen-2-ylsulfonyl-amino]-6-oxidanyl-5-oxidanylidene-hexanoic acid Openeye Name: (4R)-4-[4-guanidinobutyl(2-naphthylsulfonyl)amino]-6-hydroxy-5-oxo-hexanoic acid CAS Name: (4R)-4-[4-(diaminomethylideneamino)butyl-(2-naphthalenylsulfonyl)amino]-6-hydroxy-5-oxohexanoic acid IUPAC Name: (4R)-4-[4-(diaminomethylideneamino)butyl-naphthalen-2-ylsulfonylamino]-6-hydroxy-5-oxohexanoic acid Traditional Name: (4R)-4-[4-guanidinobutyl(2-naphthylsulfonyl)amino]-6-hydroxy-5-keto-hexanoic acid Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(CCCCN=C(N)N)C(CCC(=O)O)C(=O)CO

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(CCCCN=C(N)N)[C@H](CCC(=O)O)C(=O)CO

InChI

InChI=1S/C21H28N4O6S/c22-21(23)24-11-3-4-12-25(18(19(27)14-26)9-10-20(28)29)32(30,31)17-8-7-15-5-1-2-6-16(15)13-17/h1-2,5-8,13,18,26H,3-4,9-12,14H2,(H,28,29)(H4,22,23,24)/t18-/m1/s1