2-{6-amino-2-[5-carbamimidamido-2-(2-{5-carbamimidamido-2-[5-carbamimidamido-2-(2-{2-[5-carbamimidamido-2-(5-carbamimidamido-2-{2-[2-(3-hydroxy-2-tetradecanamidopropanamido)-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido}pentanamido)pentanamido]acetamido}propanamido)pentanamido]pentanamido}-3-(1H-indol-3-yl)propanamido)pentanamido]hexanamido}-4-methylpentanoic acid

CAS: 863987-12-6

Formula: C90H154N30O17

SMILES: CCCCCCCCCCCCCC(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(O)=O

IUPAC: 2-{6-amino-2-[5-carbamimidamido-2-(2-{5-carbamimidamido-2-[5-carbamimidamido-2-(2-{2-[5-carbamimidamido-2-(5-carbamimidamido-2-{2-[2-(3-hydroxy-2-tetradecanamidopropanamido)-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido}pentanamido)pentanamido]acetamido}propanamido)pentanamido]pentanamido}-3-(1H-indol-3-yl)propanamido)pentanamido]hexanamido}-4-methylpentanoic acid

InChI: InChI=1/C90H154N30O17/c1-7-9-10-11-12-13-14-15-16-17-18-36-71(123)110-70(52-121)83(134)120-73(54(5)8-2)84(135)118-67(48-56-37-39-58(122)40-38-56)81(132)115-64(33-25-44-104-88(96)97)77(128)112-61(31-23-42-102-86(92)93)75(126)108-51-72(124)109-55(6)74(125)1

Composition: C (56.06%), H (8.05%), N (21.79%), O (14.10%)

Molar Mass: 1928.415

Atom Count: 291

Heavy Atom Count: 137