(4S)-4-[[(2S,3R)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-(4-phenyldiazenylphenoxy)pentan-2-yl]amino]propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S,3R)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[[(2S)-1-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-(4-phenyldiazenylphenoxy)pentan-2-yl]amino]propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S,3R)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-[[(1S)-3-hydroxy-1-[[(1S)-2-methyl-1-[[(1S)-2-methyl-1-[[(1S)-1-methyl-2-oxo-2-[[(1S)-1-(4-phenylazophenoxy)carbonylbutyl]amino]ethyl]carbamoyl]propyl]carbamoyl]propyl]carbamoyl]-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S,3R)-2-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-[[(2S)-4-hydroxy-1-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(4-phenyldiazenylphenoxy)pentan-2-yl]amino]propan-2-yl]amino]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S,3R)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-5-[[(2S)-4-hydroxy-1-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(4-phenyldiazenylphenoxy)pentan-2-yl]amino]propan-2-yl]amino]butan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S,3R)-2-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-5-[[(1S)-3-hydroxy-3-keto-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-keto-1-methyl-2-[[(1S)-1-(4-phenylazophenoxy)carbonylbutyl]amino]ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]propyl]amino]-5-keto-valeric acid Formula: C49H68N10O17 MolecularWeight: 1069.12102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC1=CC=C(C=C1)N=NC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

CCC[C@@H](C(=O)OC1=CC=C(C=C1)N=NC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C49H68N10O17/c1-9-13-33(49(75)76-31-18-16-30(17-19-31)59-58-29-14-11-10-12-15-29)53-42(68)26(6)50-46(72)39(24(2)3)56-47(73)40(25(4)5)55-45(71)35(23-38(66)67)54-43(69)32(20-21-36(62)63)52-48(74)41(27(7)60)57-44(70)34(22-37(64)65)51-28(8)61/h10-12,14-19,24-27,32-35,39-41,60H,9,13,20-23H2,1-8H3,(H,50,72)(H,51,61)(H,52,74)(H,53,68)(H,54,69)(H,55,71)(H,56,73)(H,57,70)(H,62,63)(H,64,65)(H,66,67)/t26-,27+,32-,33-,34-,35-,39-,40-,41-/m0/s1