U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C43H66N12O12S2
Molecular Weight 1007.187
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [[3-leucine]oxytocin]

SMILES

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N2)C(=O)NCC(N)=O

InChI

InChIKey=FRAJVCQUOFINCU-ALERXTORSA-N
InChI=1S/C43H66N12O12S2/c1-21(2)14-27(37(61)48-18-35(47)59)53-42(66)32-6-5-13-55(32)43(67)31-20-69-68-19-25(44)36(60)50-29(16-23-7-9-24(56)10-8-23)40(64)51-28(15-22(3)4)39(63)49-26(11-12-33(45)57)38(62)52-30(17-34(46)58)41(65)54-31/h7-10,21-22,25-32,56H,5-6,11-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,63)(H,50,60)(H,51,64)(H,52,62)(H,53,66)(H,54,65)/t25-,26-,27-,28-,29-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Approval Year