(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S,3R)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S,3R)-3-hydroxy-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S,3R)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-hydroxy-2-keto-1-methylol-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S,3R)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-prolyl]amino]pentanoyl]amino]butanoyl]amino]-5-keto-valeric acid Formula: C41H68N10O13 MolecularWeight: 909.03782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CO)C(=O)O)NC(=O)C2CCCN2

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2)O

InChI

InChI=1S/C41H68N10O13/c1-20(2)13-27(36(58)48-28(14-21(3)4)37(59)49-30(16-24-17-42-19-44-24)38(60)50-31(18-52)41(63)64)47-35(57)26(10-11-32(54)55)45-40(62)33(23(7)53)51-39(61)29(15-22(5)6)46-34(56)25-9-8-12-43-25/h17,19-23,25-31,33,43,52-53H,8-16,18H2,1-7H3,(H,42,44)(H,45,62)(H,46,56)(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,54,55)(H,63,64)/t23-,25+,26+,27+,28+,29+,30+,31+,33+/m1/s1