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

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-4-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]butan-2-yl]amino]butanoic acid Openeye Name: (3S)-4-[[(1S,2R)-2-hydroxy-1-[[(1S,2R)-2-hydroxy-1-[(2S)-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]propyl]carbamoyl]propyl]amino]-3-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S,3R)-3-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[(2S)-2-[[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]propyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S,3R)-3-hydroxy-1-[[(2S,3R)-3-hydroxy-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S,2R)-2-hydroxy-1-[[(1S,2R)-2-hydroxy-1-[(2S)-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidine-1-carbonyl]propyl]carbamoyl]propyl]amino]-3-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-prolyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-keto-butyric acid Formula: C40H59N9O17 MolecularWeight: 937.94656

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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)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCCN3)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)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H]3CCCN3)O

InChI

InChI=1S/C40H59N9O17/c1-18(40(65)66)42-37(62)28-7-5-13-49(28)39(64)31(20(3)53)48-38(63)30(19(2)52)47-34(59)25(15-29(55)56)44-35(60)26(16-50)46-36(61)27(17-51)45-33(58)24(14-21-8-10-22(54)11-9-21)43-32(57)23-6-4-12-41-23/h8-11,18-20,23-28,30-31,41,50-54H,4-7,12-17H2,1-3H3,(H,42,62)(H,43,57)(H,44,60)(H,45,58)(H,46,61)(H,47,59)(H,48,63)(H,55,56)(H,65,66)/t18-,19+,20+,23-,24-,25-,26-,27-,28-,30-,31-/m0/s1