ALTERNATIVE DEFINITION for [[4-glutamic acid]oxytocin]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H65N11O13S2
Molecular Weight	1008.172
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [[4-glutamic acid]oxytocin]

Structure Search

SMILES

[H][C@]1(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC

InChI

InChIKey=ANHHFWYHJRAVNA-DSZYJQQASA-N

InChI=1S/C43H65N11O13S2/c1-5-22(4)35-42(66)48-26(12-13-34(58)59)38(62)50-29(17-32(45)56)39(63)52-30(20-69-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-33(46)57/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H65N11O13S2
Molecular Weight	1008.172
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:50:03 GMT 2023` Edited by `admin` on `Sat Dec 16 19:50:03 GMT 2023`
Record UNII	9MK3G8CDB6
Record Status	`alternative`
Record Version

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					9MK3G8CDB6

[4-glutamic acid]oxytocin

Related Record Type Details


					9MK3G8CDB6

[4-glutamic acid]oxytocin

Primary Definition

Amount: