(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[2-[[(2S,3S)-2-[2-[[(3S)-3-[[(2S)-2-azanylpropanoyl]amino]-5-methyl-hexanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[2-[[(2S,3S)-2-[2-[[(3S)-3-[[(2S)-2-azanylpropanoyl]amino]-5-methyl-hexanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S,3S)-2-[[2-[[(3S)-3-[[(2S)-2-aminopropanoyl]amino]-5-methyl-hexanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S,3S)-2-[[2-[[(3S)-3-[[(2S)-2-amino-1-oxopropyl]amino]-5-methyl-1-oxohexyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S,3S)-2-[[2-[[(3S)-3-[[(2S)-2-aminopropanoyl]amino]-5-methylhexanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S,3S)-2-[[2-[[(3S)-3-[[(2S)-2-aminopropanoyl]amino]-5-methyl-hexanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butyric acid Formula: C41H75N9O11 MolecularWeight: 870.0879

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)CC(CC(C)C)NC(=O)C(C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)C[C@H](CC(C)C)NC(=O)[C@H](C)N

InChI

InChI=1S/C41H75N9O11/c1-13-23(9)33(47-30(53)18-43-29(52)17-27(15-20(3)4)45-36(55)25(11)42)38(57)44-19-31(54)48-34(24(10)14-2)39(58)46-28(16-21(5)6)37(56)50-35(26(12)51)40(59)49-32(22(7)8)41(60)61/h20-28,32-35,51H,13-19,42H2,1-12H3,(H,43,52)(H,44,57)(H,45,55)(H,46,58)(H,47,53)(H,48,54)(H,49,59)(H,50,56)(H,60,61)/t23-,24-,25-,26+,27-,28-,32-,33-,34-,35-/m0/s1