(2S)-2-[[5-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[5-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[5-[[(2R)-2-amino-3-sulfanyl-propyl]amino]naphthalene-1-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[5-[[(2R)-2-amino-3-mercaptopropyl]amino]-1-naphthalenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[5-[[(2R)-2-amino-3-sulfanylpropyl]amino]naphthalene-1-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[5-[[(2R)-2-amino-3-mercapto-propyl]amino]-1-naphthoyl]amino]-4-(methylthio)butyric acid Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=CC2=C1C=CC=C2NCC(CS)N

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=CC=CC2=C1C=CC=C2NC[C@H](CS)N

InChI

InChI=1S/C19H25N3O3S2/c1-27-9-8-17(19(24)25)22-18(23)15-6-2-5-14-13(15)4-3-7-16(14)21-10-12(20)11-26/h2-7,12,17,21,26H,8-11,20H2,1H3,(H,22,23)(H,24,25)/t12-,17+/m1/s1