6-azanyl-5-[2-[[3-[[1-[3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]pyrrolidin-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-azanyl-5-[2-[[3-[[1-[3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]pyrrolidin-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-amino-5-[[2-[[3-[[1-[2-(isobutoxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]-6-oxo-hexanoic acid CAS Name: 6-amino-5-[[2-[[3-[[[1-[3-methyl-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,2-dioxohexyl]amino]-1-oxoethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-amino-5-[[2-[[3-[[1-[3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-6-oxohexanoic acid Traditional Name: 6-amino-5-[[2-[[3-[[1-[2-(isobutoxycarbonylamino)-3-methyl-butanoyl]prolyl]amino]-2-keto-hexanoyl]amino]acetyl]amino]-6-keto-hexanoic acid Formula: C29H48N6O10 MolecularWeight: 640.72562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(CCCC(=O)O)C(=O)N)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)OCC(C)C

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(CCCC(=O)O)C(=O)N)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)OCC(C)C

InChI

InChI=1S/C29H48N6O10/c1-6-9-18(24(39)27(42)31-14-21(36)32-19(25(30)40)10-7-12-22(37)38)33-26(41)20-11-8-13-35(20)28(43)23(17(4)5)34-29(44)45-15-16(2)3/h16-20,23H,6-15H2,1-5H3,(H2,30,40)(H,31,42)(H,32,36)(H,33,41)(H,34,44)(H,37,38)