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

Details

Stereochemistry ABSOLUTE
Molecular Formula C76H52O46.C46H65N15O12S2
Molecular Weight 2785.43
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VASOPRESSIN TANNATE

SMILES

N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O.OC5=CC(=CC(O)=C5O)C(=O)OC6=CC(=CC(O)=C6O)C(=O)OC[C@H]7O[C@@H](OC(=O)C8=CC(O)=C(O)C(OC(=O)C9=CC(O)=C(O)C(O)=C9)=C8)[C@H](OC(=O)C%10=CC(O)=C(O)C(OC(=O)C%11=CC(O)=C(O)C(O)=C%11)=C%10)[C@@H](OC(=O)C%12=CC(O)=C(O)C(OC(=O)C%13=CC(O)=C(O)C(O)=C%13)=C%12)[C@@H]7OC(=O)C%14=CC(O)=C(O)C(OC(=O)C%15=CC(O)=C(O)C(O)=C%15)=C%14

InChI

InChIKey=DBFJUDJWWHXNQF-FAZJXNMLSA-N
InChI=1S/C76H52O46.C46H65N15O12S2/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-20,52,63-65,76-101H,21H2;1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t52-,63-,64+,65-,76+;27-,28-,29-,30-,31-,32-,33-,34-/m10/s1

HIDE SMILES / InChI

Molecular Formula C76H52O46
Molecular Weight 1701.1985
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C46H65N15O12S2
Molecular Weight 1084.232
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 02:51:29 GMT 2023
Edited
by admin
on Sat Dec 16 02:51:29 GMT 2023
Record UNII
4R069M4O1P
Record Status Validated (UNII)
Record Version
  • Download
Related Record Type
Name Type Language
VASOPRESSIN TANNATE
ORANGE BOOK   WHO-DD  
Common Name English
VASOPRESSIN TANNATE (IN OIL)
VANDF  
Common Name English
VASOPRESSIN TANNATE [ORANGE BOOK]
Common Name English
VASOPRESSIN TANNATE (IN OIL) [VANDF]
Common Name English
VASOPRESSIN TANNATE [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
100000087896
Created by admin on Sat Dec 16 02:51:30 GMT 2023 , Edited by admin on Sat Dec 16 02:51:30 GMT 2023
PRIMARY
FDA UNII
4R069M4O1P
Created by admin on Sat Dec 16 02:51:30 GMT 2023 , Edited by admin on Sat Dec 16 02:51:30 GMT 2023
PRIMARY
PUBCHEM
165411857
Created by admin on Sat Dec 16 02:51:30 GMT 2023 , Edited by admin on Sat Dec 16 02:51:30 GMT 2023
PRIMARY
NCI_THESAURUS
C166779
Created by admin on Sat Dec 16 02:51:30 GMT 2023 , Edited by admin on Sat Dec 16 02:51:30 GMT 2023
PRIMARY
ChEMBL
CHEMBL1201528
Created by admin on Sat Dec 16 02:51:30 GMT 2023 , Edited by admin on Sat Dec 16 02:51:30 GMT 2023
PRIMARY
EVMPD
SUB05083MIG
Created by admin on Sat Dec 16 02:51:30 GMT 2023 , Edited by admin on Sat Dec 16 02:51:30 GMT 2023
PRIMARY
Related Record Type Details
SUB_CONCEPT->SUBSTANCE
Related Record Type Details
ACTIVE MOIETY