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

Systemtic Name: 2-[[2-[[2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propionic acid Formula: C37H55N9O9 MolecularWeight: 769.8875

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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)NC(C(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=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)NC(C(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=O)O)N

InChI

InChI=1S/C37H55N9O9/c1-19(2)29(38)34(52)44-28(18-23-10-14-25(48)15-11-23)33(51)43-26(7-6-16-41-37(39)40)31(49)46-30(20(3)4)35(53)45-27(32(50)42-21(5)36(54)55)17-22-8-12-24(47)13-9-22/h8-15,19-21,26-30,47-48H,6-7,16-18,38H2,1-5H3,(H,42,50)(H,43,51)(H,44,52)(H,45,53)(H,46,49)(H,54,55)(H4,39,40,41)