4-[[1-(2-aminocarbonylpyrrolidin-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-[2-[[5-[bis(azanyl)methylideneamino]-2-[2-[[7-methoxy-8-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethanoylamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-(2-aminocarbonylpyrrolidin-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-[2-[[5-[bis(azanyl)methylideneamino]-2-[2-[[7-methoxy-8-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethanoylamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-(2-carbamoylpyrrolidin-1-yl)-1-(hydroxymethyl)-2-oxo-ethyl]amino]-3-[[2-[[5-guanidino-2-[[2-[[8-(3-isopentyl-2-methyl-oxiran-2-yl)-7-methoxy-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]acetyl]amino]pentanoyl]amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-(2-carbamoyl-1-pyrrolidinyl)-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[[7-methoxy-8-[2-methyl-3-(3-methylbutyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-yl]oxy-oxomethyl]amino]-1-oxoethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-(2-carbamoylpyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[7-methoxy-8-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]acetyl]amino]pentanoyl]amino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(2-carbamoylpyrrolidino)-2-keto-1-methylol-ethyl]amino]-3-[[2-[[5-guanidino-2-[[2-[[8-(3-isoamyl-2-methyl-oxiran-2-yl)-7-methoxy-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]acetyl]amino]pentanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C39H64N10O14 MolecularWeight: 896.98406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)N4CCCC4C(=O)N)OC

Isomeric SMILES

CC(C)CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)N4CCCC4C(=O)N)OC

InChI

InChI=1S/C39H64N10O14/c1-20(2)9-10-26-38(3,63-26)31-30(60-4)25(11-12-39(31)19-61-39)62-37(59)45-17-28(52)46-21(7-5-13-43-36(41)42)33(56)44-16-27(51)47-22(15-29(53)54)34(57)48-23(18-50)35(58)49-14-6-8-24(49)32(40)55/h20-26,30-31,50H,5-19H2,1-4H3,(H2,40,55)(H,44,56)(H,45,59)(H,46,52)(H,47,51)(H,48,57)(H,53,54)(H4,41,42,43)