CYSTEINYL TESIRINE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C78H108N10O25S
Molecular Weight	1617.809
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OCCCCCOC2=C(OC)C=C3C(=C2)N([C@@H](O)[C@@H]4CC(C)=CN4C3=O)C(=O)OCC5=CC=C(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN6C(=O)CC(SC[C@H](N)C(O)=O)C6=O)C(C)C)C=C5)C=C7N=C[C@@H]8CC(C)=CN8C(=O)C7=C1

InChI

InChIKey=NQUUPTGRJYIXSL-FQLGXAKASA-N

InChI=1S/C78H108N10O25S/c1-49(2)70(84-68(90)16-21-103-23-25-105-27-29-107-31-33-109-35-36-110-34-32-108-30-28-106-26-24-104-22-17-80-67(89)15-18-85-69(91)43-66(76(85)97)114-48-58(79)77(98)99)72(93)82-52(5)71(92)83-54-13-11-53(12-14-54)47-113-78(100)88-60-42-65(63(102-7)40-57(60)74(95)87-46-51(4)38-61(87)75(88)96)112-20-10-8-9-19-111-64-41-59-56(39-62(64)101-6)73(94)86-45-50(3)37-55(86)44-81-59/h11-14,39-42,44-46,49,52,55,58,61,66,70,75,96H,8-10,15-38,43,47-48,79H2,1-7H3,(H,80,89)(H,82,93)(H,83,92)(H,84,90)(H,98,99)/t52-,55-,58-,61-,66?,70-,75-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C78H108N10O25S
Molecular Weight	1617.809
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:03:39 GMT 2025` Edited by `admin` on `Mon Mar 31 23:03:39 GMT 2025`
Record UNII	4KHU5WU352
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYSTEINYL TESIRINE

Preferred Name

English

Code System Code Type Description

PUBCHEM

138393927

Created by admin on Mon Mar 31 23:03:39 GMT 2025 , Edited by admin on Mon Mar 31 23:03:39 GMT 2025

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FDA UNII

4KHU5WU352

Created by admin on Mon Mar 31 23:03:39 GMT 2025 , Edited by admin on Mon Mar 31 23:03:39 GMT 2025

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