(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]prolyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]glutaric acid Formula: C33H55N7O12 MolecularWeight: 741.8295

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N

InChI

InChI=1S/C33H55N7O12/c1-7-18(6)27(31(49)38-26(17(4)5)30(48)37-20(33(51)52)11-13-24(44)45)39-28(46)19(10-12-23(42)43)36-22(41)15-35-29(47)21-9-8-14-40(21)32(50)25(34)16(2)3/h16-21,25-27H,7-15,34H2,1-6H3,(H,35,47)(H,36,41)(H,37,48)(H,38,49)(H,39,46)(H,42,43)(H,44,45)(H,51,52)/t18-,19-,20-,21-,25-,26-,27-/m0/s1