(2S)-2-[7-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]heptanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[7-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]heptanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[7-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]heptanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[7-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxoheptyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[7-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]heptanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[7-[[(2R)-2-amino-3-mercapto-propanoyl]amino]heptanoylamino]-4-(methylthio)butyric acid Formula: C15H29N3O4S2 MolecularWeight: 379.53846

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCCCCCNC(=O)C(CS)N

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CCCCCCNC(=O)[C@H](CS)N

InChI

InChI=1S/C15H29N3O4S2/c1-24-9-7-12(15(21)22)18-13(19)6-4-2-3-5-8-17-14(20)11(16)10-23/h11-12,23H,2-10,16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t11-,12-/m0/s1