2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-valeric acid Formula: C24H37N7O8 MolecularWeight: 551.59268

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)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C24H37N7O8/c1-12(2)19(31-20(35)15(25)11-18(33)34)22(37)30-17(10-13-5-7-14(32)8-6-13)21(36)29-16(23(38)39)4-3-9-28-24(26)27/h5-8,12,15-17,19,32H,3-4,9-11,25H2,1-2H3,(H,29,36)(H,30,37)(H,31,35)(H,33,34)(H,38,39)(H4,26,27,28)