N-{1-[({[1-({2-carbamoyl-1-[(1-{[1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl)carbamoyl]ethyl}carbamoyl)-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl}-2-[2-({1-[1-(2-{2-[(1-{2-[2-(3-carbamoyl-2-{3-carbamoyl-2-[3-hydroxy-2-(methylamino)propanamido]propanamido}propanamido)-3-phenylpropanamido]acetyl}pyrrolidin-2-yl)formamido]-3-methylpentanamido}-4-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl}formamido)-3-hydroxybutanamido]succinamide

CAS: 196078-30-5

Formula: C85H129N23O27

SMILES: CCC(C)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NC(CC(N)=O)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(O)C=C1)C(N)=O

IUPAC: N-{1-[({[1-({2-carbamoyl-1-[(1-{[1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxypropyl)carbamoyl]ethyl}carbamoyl)-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl}-2-[2-({1-[1-(2-{2-[(1-{2-[2-(3-carbamoyl-2-{3-carbamoyl-2-[3-hydroxy-2-(methylamino)propanamido]propanamido}propanamido)-3-phenylpropanamido]acetyl}pyrrolidin-2-yl)formamido]-3-methylpentanamido}-4-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl}formamido)-3-hydroxybutanamido]butanediamide

InChI: InChI=1/C85H129N23O27/c1-10-42(6)67(103-78(128)57-19-14-26-106(57)65(119)37-93-71(121)49(31-45-17-12-11-13-18-45)96-72(122)50(32-60(86)114)97-73(123)51(33-61(87)115)98-76(126)55(38-109)91-9)81(131)101-54(29-40(2)3)84(134)108-28-16-21-59(108)85(135)107-27-

Composition: C (53.59%), H (6.83%), N (16.91%), O (22.67%)

Molar Mass: 1905.101

Atom Count: 264

Heavy Atom Count: 135