2-[[6-methyl-4-[2-[[6-methyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-heptanoyl]amino]propanoylamino]-3-oxidanyl-heptanoyl]amino]butanedioic acid

Systemtic Name: 2-[[6-methyl-4-[2-[[6-methyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-heptanoyl]amino]propanoylamino]-3-oxidanyl-heptanoyl]amino]butanedioic acid Openeye Name: 2-[[3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[(1S)-2-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]carbamoyl]propyl]amino]heptanoyl]amino]propanoylamino]-6-methyl-heptanoyl]amino]butanedioic acid CAS Name: 2-[[3-hydroxy-4-[[2-[[3-hydroxy-6-methyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutan-2-yl]amino]-1-oxoheptyl]amino]-1-oxopropyl]amino]-6-methyl-1-oxoheptyl]amino]butanedioic acid IUPAC Name: 2-[[3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoyl]amino]butanedioic acid Traditional Name: 2-[[3-hydroxy-4-[2-[[3-hydroxy-4-[[(1S)-1-[[(2S)-2-(isovalerylamino)-3-methyl-butanoyl]carbamoyl]-2-methyl-propyl]amino]-6-methyl-heptanoyl]amino]propanoylamino]-6-methyl-heptanoyl]amino]succinic acid Formula: C38H68N6O12 MolecularWeight: 800.97952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C)C(=O)NC(CC(C)C)C(CC(=O)NC(CC(=O)O)C(=O)O)O)O)NC(C(C)C)C(=O)NC(=O)C(C(C)C)NC(=O)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C38H68N6O12/c1-18(2)12-24(41-33(21(7)8)36(53)44-37(54)34(22(9)10)43-29(47)14-20(5)6)27(45)16-30(48)39-23(11)35(52)42-25(13-19(3)4)28(46)17-31(49)40-26(38(55)56)15-32(50)51/h18-28,33-34,41,45-46H,12-17H2,1-11H3,(H,39,48)(H,40,49)(H,42,52)(H,43,47)(H,50,51)(H,55,56)(H,44,53,54)/t23?,24?,25?,26?,27?,28?,33-,34-/m0/s1