ALTERNATIVE DEFINITION for [Oxytocin, 5-(3-cyano-L-alanine)-]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H64N12O11S2
Molecular Weight	989.172
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [Oxytocin, 5-(3-cyano-L-alanine)-]

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)NC(=O)[C@H](CCC(N)=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=LARVAUDAVYYMES-XGHPPNFLSA-N

InChI=1S/C43H64N12O11S2/c1-5-23(4)35-42(65)50-27(12-13-33(46)57)38(61)49-28(14-15-44)39(62)53-31(21-68-67-20-26(45)36(59)51-30(40(63)54-35)18-24-8-10-25(56)11-9-24)43(66)55-16-6-7-32(55)41(64)52-29(17-22(2)3)37(60)48-19-34(47)58/h8-11,22-23,26-32,35,56H,5-7,12-14,16-21,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,60)(H,49,61)(H,50,65)(H,51,59)(H,52,64)(H,53,62)(H,54,63)/t23-,26-,27-,28-,29-,30-,31-,32-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H64N12O11S2
Molecular Weight	989.172
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 19:47:09 GMT 2023` Edited by `admin` on `Sat Dec 16 19:47:09 GMT 2023`
Record UNII	ND9SGF4FT8
Record Status	`alternative`
Record Version

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					ND9SGF4FT8

Oxytocin, 5-(3-cyano-L-alanine)-

Related Record Type Details


					ND9SGF4FT8

Oxytocin, 5-(3-cyano-L-alanine)-

Primary Definition