4-[[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[1-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid; ethanoic acid

Systemtic Name: 4-[[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[[1-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid; ethanoic acid Openeye Name: acetic acid; 4-[[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]amino]-5-[[1-[[1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: acetic acid; 4-[[5-(diaminomethylideneamino)-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxopentyl]amino]-5-[[1-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: acetic acid; 4-[[2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[1-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: acetic acid; 4-[[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]amino]-5-[[1-[[1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C34H57N9O11 MolecularWeight: 767.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N.CC(=O)O

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N.CC(=O)O

InChI

InChI=1S/C32H53N9O9.C2H4O2/c1-18(2)26(30(48)40-24(31(49)50-3)17-19-9-11-20(42)12-10-19)41-29(47)23(13-14-25(43)44)39-28(46)22(8-6-16-37-32(35)36)38-27(45)21(34)7-4-5-15-33;1-2(3)4/h9-12,18,21-24,26,42H,4-8,13-17,33-34H2,1-3H3,(H,38,45)(H,39,46)(H,40,48)(H,41,47)(H,43,44)(H4,35,36,37);1H3,(H,3,4)