4-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]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-[[6-azanyl-2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]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-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]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-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]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-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]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-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]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

Click to see the large picture

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(CCCCN)NC(=O)C(CCCN=C(N)N)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(CCCCN)NC(=O)C(CCCN=C(N)N)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(8-4-5-15-33)38-27(45)21(34)7-6-16-37-32(35)36;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)