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

Systemtic Name: (3R)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[2-[[(3S,4S)-3-[2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (3R)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(3S,4S)-3-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-2-oxo-hexanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (3R)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(3S,4S)-3-[[2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-4-methyl-1,2-dioxohexyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (3R)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(3S,4S)-3-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methyl-2-oxohexanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid Traditional Name: (3R)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(3S,4S)-3-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-2-keto-4-methyl-hexanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-valeric acid Formula: C42H75N9O12 MolecularWeight: 898.098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H75N9O12/c1-13-23(9)33(49-30(53)18-44-38(59)28(15-20(3)4)47-37(58)25(11)43)36(57)42(63)45-19-31(54)50-34(24(10)14-2)40(61)48-29(16-21(5)6)39(60)51-35(26(12)52)41(62)46-27(22(7)8)17-32(55)56/h20-29,33-35,52H,13-19,43H2,1-12H3,(H,44,59)(H,45,63)(H,46,62)(H,47,58)(H,48,61)(H,49,53)(H,50,54)(H,51,60)(H,55,56)/t23-,24-,25-,26+,27+,28-,29-,33-,34-,35-/m0/s1