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

Systemtic Name: 3-[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[2-[[7-methoxy-8-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[(2-amino-5-guanidino-pentanoyl)amino]acetyl]amino]-4-[2-[[8-(3-isopentyl-2-methyl-oxiran-2-yl)-7-methoxy-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[2-[[[7-methoxy-8-[2-methyl-3-(3-methylbutyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-yl]oxy-oxomethyl]amino]ethylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[2-[[7-methoxy-8-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethylamino]-4-oxobutanoic acid Traditional Name: 3-[[2-[(2-amino-5-guanidino-pentanoyl)amino]acetyl]amino]-4-[2-[[8-(3-isoamyl-2-methyl-oxiran-2-yl)-7-methoxy-2-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]ethylamino]-4-keto-butyric acid Formula: C31H54N8O10 MolecularWeight: 698.80806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NCCNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N)OC

Isomeric SMILES

CC(C)CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NCCNC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N)OC

InChI

InChI=1S/C31H54N8O10/c1-17(2)7-8-21-30(3,49-21)25-24(46-4)20(9-10-31(25)16-47-31)48-29(45)37-13-12-35-27(44)19(14-23(41)42)39-22(40)15-38-26(43)18(32)6-5-11-36-28(33)34/h17-21,24-25H,5-16,32H2,1-4H3,(H,35,44)(H,37,45)(H,38,43)(H,39,40)(H,41,42)(H4,33,34,36)