ALTERNATIVE DEFINITION for [[3-leucine]oxytocin]

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]

Structure Search

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

Molecular Formula	C43H66N12O12S2
Molecular Weight	1007.187
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:49:48 GMT 2023` Edited by `admin` on `Sat Dec 16 19:49:48 GMT 2023`
Record UNII	9Z7VX5LVA2
Record Status	`alternative`
Record Version

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					9Z7VX5LVA2

[3-leucine]oxytocin

Related Record Type Details


					9Z7VX5LVA2

[3-leucine]oxytocin

Primary Definition