2-[[2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C36H62N10O9 MolecularWeight: 778.93908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H62N10O9/c1-19(2)17-26(44-30(49)24(9-6-7-15-37)43-33(52)28(38)21(5)47)32(51)42-25(10-8-16-41-36(39)40)31(50)46-29(20(3)4)34(53)45-27(35(54)55)18-22-11-13-23(48)14-12-22/h11-14,19-21,24-29,47-48H,6-10,15-18,37-38H2,1-5H3,(H,42,51)(H,43,52)(H,44,49)(H,45,53)(H,46,50)(H,54,55)(H4,39,40,41)