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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H51N7O8.3ClH
Molecular Weight 771.172
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ODATROLTIDE TRIHYDROCHLORIDE

SMILES

Cl.Cl.Cl.C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)NCCCC[C@H](NC(=O)[C@@H]2CC3=C(C=C(O)C(O)=C3)C(C)(C)N2)C(O)=O

InChI

InChIKey=ALROITUWCXLBMM-QWMHWYMLSA-N
InChI=1S/C32H51N7O8.3ClH/c1-18(36-29(44)21-11-8-14-34-21)27(42)37-22(9-4-6-12-33)28(43)35-13-7-5-10-23(31(46)47)38-30(45)24-15-19-16-25(40)26(41)17-20(19)32(2,3)39-24;;;/h16-18,21-24,34,39-41H,4-15,33H2,1-3H3,(H,35,43)(H,36,44)(H,37,42)(H,38,45)(H,46,47);3*1H/t18-,21-,22-,23-,24-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C32H51N7O8
Molecular Weight 661.7894
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:59:37 GMT 2023
Edited
by admin
on Sat Dec 16 13:59:37 GMT 2023
Record UNII
YMT109ZGVX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ODATROLTIDE TRIHYDROCHLORIDE
Common Name English
L-LYSINE, N6-(L-PROLYL-L-ALANYL-L-LYSYL)-N2-(((3S)-1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-1,1-DIMETHYL-3-ISOQUINOLINYL)CARBONYL)-, HYDROCHLORIDE (1:3)
Systematic Name English
Code System Code Type Description
FDA UNII
YMT109ZGVX
Created by admin on Sat Dec 16 13:59:38 GMT 2023 , Edited by admin on Sat Dec 16 13:59:38 GMT 2023
PRIMARY
CAS
2419930-71-3
Created by admin on Sat Dec 16 13:59:38 GMT 2023 , Edited by admin on Sat Dec 16 13:59:38 GMT 2023
PRIMARY
PUBCHEM
156596544
Created by admin on Sat Dec 16 13:59:38 GMT 2023 , Edited by admin on Sat Dec 16 13:59:38 GMT 2023
PRIMARY
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