2-[[(1S)-2-[[(2S)-1-[[(3R)-1,2-bis(oxidanylidene)-1-[[2-oxidanylidene-2-[[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]amino]ethyl]amino]hexan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-1-(1-oxidanylidenethian-4-yl)ethyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(1S)-2-[[(2S)-1-[[(3R)-1,2-bis(oxidanylidene)-1-[[2-oxidanylidene-2-[[(1S)-2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl]amino]ethyl]amino]hexan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-1-(1-oxidanylidenethian-4-yl)ethyl]carbamoyl]benzoic acid Openeye Name: 2-[[(1S)-2-[[(1S)-1-[[(1R)-1-[2-[[2-[[(1S)-2-hydroxy-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-1-(1-oxothian-4-yl)ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[(1S)-2-[[(2S)-1-[[(3R)-1-[[2-[[(1S)-2-hydroxy-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxo-1-(1-oxo-4-thianyl)ethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(1S)-2-[[(2S)-1-[[(3R)-1-[[2-[[(1S)-2-hydroxy-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxo-1-(1-oxothian-4-yl)ethyl]carbamoyl]benzoic acid Traditional Name: 2-[[(1S)-2-[[(1S)-1-[[(1R)-1-[2-[[2-[[(1S)-2-hydroxy-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-(1-ketothian-4-yl)ethyl]carbamoyl]benzoic acid Formula: C37H47N5O11S MolecularWeight: 769.86098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C2CCS(=O)CC2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC[C@H](C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2CCS(=O)CC2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C37H47N5O11S/c1-4-10-26(31(44)35(48)38-20-28(43)41-30(37(51)52)22-11-6-5-7-12-22)39-33(46)27(19-21(2)3)40-34(47)29(23-15-17-54(53)18-16-23)42-32(45)24-13-8-9-14-25(24)36(49)50/h5-9,11-14,21,23,26-27,29-30H,4,10,15-20H2,1-3H3,(H,38,48)(H,39,46)(H,40,47)(H,41,43)(H,42,45)(H,49,50)(H,51,52)/t23?,26-,27+,29+,30+,54?/m1/s1