(2S)-2-[[(2R)-1-[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R)-1-[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2R)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[(2R)-1-[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2R)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2R)-1-[(2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-3-methyl-butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-4-(methylthio)butyric acid Formula: C22H38N4O5S2 MolecularWeight: 502.69092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C2CCCCC2CC1C(=O)NC(CCSC)C(=O)O)NC(=O)C(CS)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1[C@H](CC2C1CCCC2)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CS)N

InChI

InChI=1S/C22H38N4O5S2/c1-12(2)18(25-19(27)14(23)11-32)21(29)26-16-7-5-4-6-13(16)10-17(26)20(28)24-15(22(30)31)8-9-33-3/h12-18,32H,4-11,23H2,1-3H3,(H,24,28)(H,25,27)(H,30,31)/t13?,14-,15-,16?,17+,18-/m0/s1