(2S)-1-[(2S,3R)-2-[[(2S,3R)-2-acetamido-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S,3R)-2-[[(2S,3R)-2-acetamido-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S,3R)-2-[[(2S,3R)-2-acetamido-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S,3R)-2-[[(2S,3R)-2-acetamido-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S,3R)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S,3R)-2-[[(2S,3R)-2-acetamido-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]-N-[(1S)-2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-2-[[(1S)-1-(4-hydroxybenzyl)-2-keto-propyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]pyrrolidine-2-carboxamide Formula: C43H60N8O12 MolecularWeight: 880.9829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)C)NC(=O)C)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)C)NC(=O)C)O

InChI

InChI=1S/C43H60N8O12/c1-22(46-41(61)34-14-11-19-51(34)43(63)36(27(6)54)50-42(62)35(26(5)53)47-28(7)55)37(57)44-23(2)39(59)49-33(21-29-12-9-8-10-13-29)40(60)45-24(3)38(58)48-32(25(4)52)20-30-15-17-31(56)18-16-30/h8-10,12-13,15-18,22-24,26-27,32-36,53-54,56H,11,14,19-21H2,1-7H3,(H,44,57)(H,45,60)(H,46,61)(H,47,55)(H,48,58)(H,49,59)(H,50,62)/t22-,23-,24-,26+,27+,32-,33-,34-,35-,36-/m0/s1