2-amino-3-[(2-{[1-({4-carbamimidamido-1-[(4-carbamimidamido-1-{[4-carbamimidamido-1-({1-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]ethyl}carbamoyl)butyl]carbamoyl}butyl)carbamoyl]butyl}carbamoyl)ethyl]carbamoyl}-2-acetamidoethyl)disulfanyl]propanoic acid

CAS: 1262780-97-1

Formula: C38H73N21O10S2

SMILES: CC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(C)NC(=O)C(CSSCC(N)C(O)=O)NC(C)=O)C(=O)NC(CCCNC(N)=N)C(N)=O

IUPAC: 2-amino-3-[(2-{[1-({4-carbamimidamido-1-[(4-carbamimidamido-1-{[4-carbamimidamido-1-({1-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]ethyl}carbamoyl)butyl]carbamoyl}butyl)carbamoyl]butyl}carbamoyl)ethyl]carbamoyl}-2-acetamidoethyl)disulfanyl]propanoic acid

InChI: InChI=1/C38H73N21O10S2/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69/h18-19,21-26H,4-17,39H2,1-3

Composition: C (43.54%), H (7.02%), N (28.06%), O (15.26%), S (6.12%)

Molar Mass: 1048.26

Atom Count: 144

Heavy Atom Count: 71