(3S)-3-azanyl-4-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]butan-2-yl]amino]propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2R)-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]butan-2-yl]amino]propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-2-[[(1S)-2-[[(1S,2R)-2-hydroxy-1-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2R)-1-hydroxy-3-mercapto-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-2-[[(1S)-1-(4-hydroxybenzyl)-2-[[(1S,2R)-2-hydroxy-1-[[(1R)-2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]propyl]amino]-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid Formula: C23H33N5O11S MolecularWeight: 587.60002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CS)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C23H33N5O11S/c1-10(30)18(22(37)27-16(9-40)23(38)39)28-20(35)14(6-11-2-4-12(31)5-3-11)25-21(36)15(8-29)26-19(34)13(24)7-17(32)33/h2-5,10,13-16,18,29-31,40H,6-9,24H2,1H3,(H,25,36)(H,26,34)(H,27,37)(H,28,35)(H,32,33)(H,38,39)/t10-,13+,14+,15+,16+,18+/m1/s1