(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[[(2S)-1-[(2S)-4-methyl-1-oxo-2-[[(2S)-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]propyl]amino]pentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-5-keto-2-[[2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-prolyl]amino]propanoyl]amino]pentanoyl]prolyl]amino]acetyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-valeric acid Formula: C41H70N10O12 MolecularWeight: 895.0543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C2CCCN2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2

InChI

InChI=1S/C41H70N10O12/c1-9-22(6)32(41(62)63)49-39(60)33(24(8)52)50-38(59)31(21(4)5)48-36(57)26(14-15-29(42)53)46-30(54)19-44-37(58)28-13-11-17-51(28)40(61)27(18-20(2)3)47-34(55)23(7)45-35(56)25-12-10-16-43-25/h20-28,31-33,43,52H,9-19H2,1-8H3,(H2,42,53)(H,44,58)(H,45,56)(H,46,54)(H,47,55)(H,48,57)(H,49,60)(H,50,59)(H,62,63)/t22-,23-,24+,25-,26-,27-,28-,31-,32-,33-/m0/s1