(4S)-5-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[2-[[(2S)-2-[[(2S)-2-(2-naphthalen-2-ylethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-[2-[[(2S)-2-[[(2S)-2-(2-naphthalen-2-ylethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-[[2-(2-naphthyl)acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-[[2-(2-naphthalenyl)-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-5-keto-4-[[2-[[(2S)-2-[[(2S)-2-[[2-(2-naphthyl)acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]valeric acid Formula: C46H47N5O10 MolecularWeight: 829.89288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C46H47N5O10/c52-35-19-16-31(17-20-35)26-39(46(60)61)51-44(58)36(21-22-42(55)56)48-41(54)28-47-43(57)37(24-29-9-3-1-4-10-29)50-45(59)38(25-30-11-5-2-6-12-30)49-40(53)27-32-15-18-33-13-7-8-14-34(33)23-32/h1-20,23,36-39,52H,21-22,24-28H2,(H,47,57)(H,48,54)(H,49,53)(H,50,59)(H,51,58)(H,55,56)(H,60,61)/t36-,37-,38-,39-/m0/s1