(2R)-5-[[(2S)-6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-2-(2-propanoylsulfanylpropanoylamino)pentanoic acid

Systemtic Name: (2R)-5-[[(2S)-6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-2-(2-propanoylsulfanylpropanoylamino)pentanoic acid Openeye Name: (2R)-5-[[(1S)-5-amino-1-methoxycarbonyl-pentyl]amino]-5-oxo-2-(2-propanoylsulfanylpropanoylamino)pentanoic acid CAS Name: (2R)-5-[[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]amino]-5-oxo-2-[[1-oxo-2-(1-oxopropylthio)propyl]amino]pentanoic acid IUPAC Name: (2R)-5-[[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]amino]-5-oxo-2-(2-propanoylsulfanylpropanoylamino)pentanoic acid Traditional Name: (2R)-5-[[(1S)-5-amino-1-carbomethoxy-pentyl]amino]-5-keto-2-[2-(propionylthio)propanoylamino]valeric acid Formula: C18H31N3O7S MolecularWeight: 433.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(C)C(=O)NC(CCC(=O)NC(CCCCN)C(=O)OC)C(=O)O

Isomeric SMILES

CCC(=O)SC(C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)OC)C(=O)O

InChI

InChI=1S/C18H31N3O7S/c1-4-15(23)29-11(2)16(24)21-12(17(25)26)8-9-14(22)20-13(18(27)28-3)7-5-6-10-19/h11-13H,4-10,19H2,1-3H3,(H,20,22)(H,21,24)(H,25,26)/t11?,12-,13+/m1/s1