19-[(3-{[2-(2-{[(2-{2-[({5-[2-(2-{2-[6-amino-2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-2-methylpropanamido}-4-carboxybutanamido)acetamido]-3-hydroxybutanamido}-3-phenylpropanamido)-3-hydroxybutanamido]-3-hydroxypropanamido}-3-carboxypropanamido)-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido}-3-methylpentanamido)-2-methylpropanamido]-4-methylpentanamido}-3-carboxypropanamido)hexanamido]-3-methylpentanamido}propanamido)-4-carbamoylbutanamido]-5-({1-[(1-{[1-({3-carbamoyl-1-[(1-{[1-({1-[(1-{[({2-[2-({1-[(1-{[({1-[2-(2-{2-[(1-carbamoyl-2-hydroxyethyl)carbamoyl]pyrrolidine-1-carbonyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxopropan-2-yl}carbamoyl)methyl]carbamoyl}-2-hydroxyethyl)carbamoyl]-2-hydroxyethyl}carbamoyl)pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)methyl]carbamoyl}ethyl)carbamoyl]-2-methylbutyl}carbamoyl)-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl)carbamoyl]propyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-phenylethyl)carbamoyl]ethyl}carbamoyl)pentyl}carbamoyl)methoxy]ethoxy}ethyl)carbamoyl]methoxy}ethoxy)ethyl]carbamoyl}-1-carboxypropyl)carbamoyl]nonadecanoic acid

CAS: 2023788-19-2

Formula: C225H348N48O68

SMILES: CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(NC(=O)C(CO)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(NC(=O)CNC(=O)C(CCC(O)=O)NC(=O)C(C)(C)NC(=O)C(N)CC1=CC=C(O)C=C1)C(C)O)C(C)O)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CO)C(N)=O

IUPAC: 19-[(3-{[2-(2-{[(2-{2-[({5-[2-(2-{2-[6-amino-2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-2-methylpropanamido}-4-carboxybutanamido)acetamido]-3-hydroxybutanamido}-3-phenylpropanamido)-3-hydroxybutanamido]-3-hydroxypropanamido}-3-carboxypropanamido)-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido}-3-methylpentanamido)-2-methylpropanamido]-4-methylpentanamido}-3-carboxypropanamido)hexanamido]-3-methylpentanamido}propanamido)-4-carbamoylbutanamido]-5-({1-[(1-{[1-({3-carbamoyl-1-[(1-{[1-({1-[(1-{[({2-[2-({1-[(1-{[({1-[2-(2-{2-[(1-carbamoyl-2-hydroxyethyl)carbamoyl]pyrrolidine-1-carbonyl}pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-oxopropan-2-yl}carbamoyl)methyl]carbamoyl}-2-hydroxyethyl)carbamoyl]-2-hydroxyethyl}carbamoyl)pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)methyl]carbamoyl}ethyl)carbamoyl]-2-methylbutyl}carbamoyl)-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl)carbamoyl]propyl}carbamoyl)-2-methylpropyl]carbamoyl}-2-phenylethyl)carbamoyl]ethyl}carbamoyl)pentyl}carbamoyl)methoxy]ethoxy}ethyl)carbamoyl]methoxy}ethoxy)ethyl]carbamoyl}-1-carboxypropyl)carbamoyl]nonadecanoic acid

InChI: InChI=1/C225H348N48O68/c1-23-126(10)183(264-198(311)146(64-50-52-88-226)246-202(315)157(109-180(297)298)252-199(312)152(103-124(6)7)261-223(337)225(21,22)269-217(330)185(128(12)25-3)266-209(322)163(120-278)257-200(313)153(107-138-74-78-141(282)79-75-138)2

Composition: C (56.14%), H (7.29%), N (13.97%), O (22.60%)

Molar Mass: 4813.527

Atom Count: 689

Heavy Atom Count: 341