(3S)-3-acetamido-4-[[(2S,3R)-1-[[(2S,3R)-1-[(2S)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-acetamido-4-[[(2S,3R)-1-[[(2S,3R)-1-[(2S)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-acetamido-4-[[(1S,2R)-1-[[(1S,2R)-1-[(2S)-2-[[(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]carbamoyl]pyrrolidine-1-carbonyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-acetamido-4-[[(2S,3R)-3-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[(2S)-2-[[[(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]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-acetamido-4-[[(2S,3R)-3-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[(2S)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-acetamido-4-[[(1S,2R)-1-[[(1S,2R)-1-[(2S)-2-[[(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]carbamoyl]pyrrolidine-1-carbonyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-4-keto-butyric acid Formula: C47H65N9O15 MolecularWeight: 996.0703

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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(CC(=O)O)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@H](CC(=O)O)NC(=O)C)O

InChI

InChI=1S/C47H65N9O15/c1-23(50-45(69)36-14-11-19-56(36)47(71)39(28(6)59)55-46(70)38(27(5)58)54-44(68)35(22-37(62)63)51-29(7)60)40(64)48-24(2)42(66)53-34(21-30-12-9-8-10-13-30)43(67)49-25(3)41(65)52-33(26(4)57)20-31-15-17-32(61)18-16-31/h8-10,12-13,15-18,23-25,27-28,33-36,38-39,58-59,61H,11,14,19-22H2,1-7H3,(H,48,64)(H,49,67)(H,50,69)(H,51,60)(H,52,65)(H,53,66)(H,54,68)(H,55,70)(H,62,63)/t23-,24-,25-,27+,28+,33-,34-,35-,36-,38-,39-/m0/s1