ALTERNATIVE DEFINITION for [Oxytocin, N-acetyl-]

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H68N12O13S2
Molecular Weight	1049.224
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [Oxytocin, N-acetyl-]

Structure Search

SMILES

[H][C@]1(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)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)NC(C)=O)[C@@H](C)CC

InChI

InChIKey=RROMYFJBCBPTNU-RANNHORISA-N

InChI=1S/C45H68N12O13S2/c1-6-23(4)37-44(69)51-27(13-14-34(46)60)39(64)53-30(18-35(47)61)40(65)55-32(45(70)57-15-7-8-33(57)43(68)54-28(16-22(2)3)38(63)49-19-36(48)62)21-72-71-20-31(50-24(5)58)42(67)52-29(41(66)56-37)17-25-9-11-26(59)12-10-25/h9-12,22-23,27-33,37,59H,6-8,13-21H2,1-5H3,(H2,46,60)(H2,47,61)(H2,48,62)(H,49,63)(H,50,58)(H,51,69)(H,52,67)(H,53,64)(H,54,68)(H,55,65)(H,56,66)/t23-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H68N12O13S2
Molecular Weight	1049.224
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 19:48:05 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:05 GMT 2023`
Record UNII	EUP6FN8V9H
Record Status	`alternative`
Record Version

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					EUP6FN8V9H

Oxytocin, N-acetyl-

Related Record Type Details


					EUP6FN8V9H

Oxytocin, N-acetyl-

Primary Definition