3-[6-amino-2-(2-amino-5-carbamimidamidopentanamido)hexanamido]-3-[(1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]propanoic acid

CAS: 69558-55-0

Formula: C30H49N9O9

SMILES: CC(C)C(NC(=O)C(CC(O)=O)NC(=O)C(CCCCN)NC(=O)C(N)CCCNC(N)=N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O

IUPAC: 3-[6-amino-2-(2-amino-5-carbamimidamidopentanamido)hexanamido]-3-[(1-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]propanoic acid

InChI: InChI=1/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,

Composition: C (53.01%), H (7.27%), N (18.54%), O (21.18%)

Molar Mass: 679.776

Atom Count: 97

Heavy Atom Count: 48