Identification
| Name |
Deamino-(8alpha-Hydroxyisocaproic Acid)-Oxytocin |
|---|
| Synonyms |
[1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-3-Methyl-Butyl] 1-[7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxylate; 1-[[7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicos-4-Yl]-Oxomethyl]-2-Pyrrolidinecarboxylic Acid [1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-3-Methylbutyl] Ester; 1-[7-(2-Amino-2-Keto-Ethyl)-10-(3-Amino-3-Keto-Propyl)-16-(4-Hydroxybenzyl)-6,9,12,15,18-Pentaketo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxylic Acid [1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-3-Methyl-Butyl] Ester |
|
| Molecular Structure |
 |
| Molecular Formula |
C43H64N10O13S2 |
| Molecular Weight |
993.16 |
| CAS Registry Number |
71375-94-5 |
| SMILES |
C3=C(CC1NC(=O)CCSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(CC)C)CCC(=O)N)CC(=O)N)C(=O)N2C(C(OC(C(=O)NCC(=O)N)CC(C)C)=O)CCC2)C=CC(=C3)O |
| InChI |
1S/C43H64N10O13S2/c1-5-23(4)36-41(63)49-26(12-13-32(44)55)37(59)50-28(19-33(45)56)38(60)51-29(21-68-67-16-14-35(58)48-27(39(61)52-36)18-24-8-10-25(54)11-9-24)42(64)53-15-6-7-30(53)43(65)66-31(17-22(2)3)40(62)47-20-34(46)57/h8-11,22-23,26-31,36,54H,5-7,12-21H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,62)(H,48,58)(H,49,63)(H,50,59)(H,51,60)(H,52,61) |
| InChIKey |
YLLWBUANKHPCIT-UHFFFAOYSA-N |
|
