(3S)-4-[[(2R)-1-(2-azanylethyldisulfanyl)-3-[4-(carboxycarbonylamino)phenyl]propan-2-yl]amino]-4-oxidanylidene-3-[3-(prop-2-enoylamino)propanoylamino]butanoic acid

Systemtic Name: (3S)-4-[[(2R)-1-(2-azanylethyldisulfanyl)-3-[4-(carboxycarbonylamino)phenyl]propan-2-yl]amino]-4-oxidanylidene-3-[3-(prop-2-enoylamino)propanoylamino]butanoic acid Openeye Name: (3S)-4-[[(1R)-1-[(2-aminoethyldisulfanyl)methyl]-2-[4-(oxaloamino)phenyl]ethyl]amino]-4-oxo-3-[3-(prop-2-enoylamino)propanoylamino]butanoic acid CAS Name: (3S)-4-[[(2R)-1-(2-aminoethyldisulfanyl)-3-[4-(oxaloamino)phenyl]propan-2-yl]amino]-4-oxo-3-[[1-oxo-3-(1-oxoprop-2-enylamino)propyl]amino]butanoic acid IUPAC Name: (3S)-4-[[(2R)-1-(2-aminoethyldisulfanyl)-3-[4-(oxaloamino)phenyl]propan-2-yl]amino]-4-oxo-3-[3-(prop-2-enoylamino)propanoylamino]butanoic acid Traditional Name: (3S)-3-(3-acrylamidopropanoylamino)-4-[[(1R)-1-[(2-aminoethyldisulfanyl)methyl]-2-[4-(oxaloamino)phenyl]ethyl]amino]-4-keto-butyric acid Formula: C23H31N5O8S2 MolecularWeight: 569.65094

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)NC(=O)C(=O)O)CSSCCN

Isomeric SMILES

C=CC(=O)NCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC1=CC=C(C=C1)NC(=O)C(=O)O)CSSCCN

InChI

InChI=1S/C23H31N5O8S2/c1-2-18(29)25-9-7-19(30)28-17(12-20(31)32)21(33)27-16(13-38-37-10-8-24)11-14-3-5-15(6-4-14)26-22(34)23(35)36/h2-6,16-17H,1,7-13,24H2,(H,25,29)(H,26,34)(H,27,33)(H,28,30)(H,31,32)(H,35,36)/t16-,17+/m1/s1