(2S,3R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid

CAS: 58442-64-1

Formula: C30H48N8O9

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(O)=O

IUPAC: (2S,3R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-carboxypropanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid

InChI: InChI=1S/C30H48N8O9/c1-5-16(4)24(29(46)47)38-27(44)21(13-17-8-10-18(39)11-9-17)36-28(45)23(15(2)3)37-26(43)20(7-6-12-34-30(32)33)35-25(42)19(31)14-22(40)41/h8-11,15-16,19-21,23-24,39H,5-7,12-14,31H2,1-4H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)(H,46

Composition: C (54.20%), H (7.28%), N (16.86%), O (21.66%)

Molar Mass: 664.761

Atom Count: 95

Heavy Atom Count: 47