2-{[1-(6-amino-2-{[1-(2-amino-5-carbamimidamidopentanoyl)pyrrolidin-2-yl]formamido}hexanoyl)pyrrolidin-2-yl]formamido}-N-[3-carbamoyl-1-({1-[(1-{[({1-[(1-carbamoyl-3-methanesulfonylpropyl)carbamoyl]-3-methylbutyl}carbamoyl)methyl](methyl)carbamoyl}-2-phenylethyl)carbamoyl]-2-phenylethyl}carbamoyl)propyl]pentanediamide

CAS: 110880-55-2

Formula: C64H100N18O15S

SMILES: CC(C)CC(NC(=O)CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(N)CCCNC(N)=N)C(=O)NC(CCS(C)(=O)=O)C(N)=O

IUPAC: 2-{[1-(6-amino-2-{[1-(2-amino-5-carbamimidamidopentanoyl)pyrrolidin-2-yl]formamido}hexanoyl)pyrrolidin-2-yl]formamido}-N-[3-carbamoyl-1-({1-[(1-{[({1-[(1-carbamoyl-3-methanesulfonylpropyl)carbamoyl]-3-methylbutyl}carbamoyl)methyl](methyl)carbamoyl}-2-phenylethyl)carbamoyl]-2-phenylethyl}carbamoyl)propyl]pentanediamide

InChI: InChI=1/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-

Composition: C (55.16%), H (7.23%), N (18.09%), O (17.22%), S (2.30%)

Molar Mass: 1393.68

Atom Count: 198

Heavy Atom Count: 98