(2S)-5-carbamimidamido-2-[(2S)-2-{[(2S)-1-[(2S)-3-hydroxy-2-[(2S)-3-phenyl-2-(2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)propanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]pentanoic acid

CAS: 16875-11-9

Formula: C44H61N11O10

SMILES: NC(=N)NCCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(O)=O

IUPAC: (2S)-5-carbamimidamido-2-[(2S)-2-{[(2S)-1-[(2S)-3-hydroxy-2-[(2S)-3-phenyl-2-(2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)propanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]pentanoic acid

InChI: InChI=1S/C44H61N11O10/c45-44(46)48-20-8-16-30(43(64)65)51-38(59)32(24-28-13-5-2-6-14-28)52-40(61)35-18-10-22-55(35)42(63)33(26-56)53-37(58)31(23-27-11-3-1-4-12-27)50-36(57)25-49-39(60)34-17-9-21-54(34)41(62)29-15-7-19-47-29/h1-6,11-14,29-35,47,56H,7-10,15

Composition: C (58.46%), H (6.80%), N (17.04%), O (17.70%)

Molar Mass: 904.039

Atom Count: 126

Heavy Atom Count: 65