(2S)-1-[(2S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxohexyl]amino]-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-mercapto-propanoyl]amino]hexanoyl]amino]-5-hydroxy-5-keto-pentanoyl]proline Formula: C32H49N7O11S MolecularWeight: 739.83676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)O

InChI

InChI=1S/C32H49N7O11S/c1-17(40)26(38-27(44)20(34)15-18-7-9-19(41)10-8-18)30(47)37-23(16-51)29(46)35-21(5-2-3-13-33)28(45)36-22(11-12-25(42)43)31(48)39-14-4-6-24(39)32(49)50/h7-10,17,20-24,26,40-41,51H,2-6,11-16,33-34H2,1H3,(H,35,46)(H,36,45)(H,37,47)(H,38,44)(H,42,43)(H,49,50)/t17-,20+,21+,22+,23+,24+,26+/m1/s1