TESIRINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C75H101N9O23
Molecular Weight	1496.6509
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
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)C=CC6=O)C(C)C)C=C5)C=C7N=C[C@@H]8CC(C)=CN8C(=O)C7=C1

InChI

InChIKey=HKGATZAPXCCEJR-OWRSNIELSA-N

InChI=1S/C75H101N9O23/c1-49(2)69(80-66(86)18-23-97-25-27-99-29-31-101-33-35-103-37-38-104-36-34-102-32-30-100-28-26-98-24-19-76-65(85)17-20-81-67(87)15-16-68(81)88)71(90)78-52(5)70(89)79-54-13-11-53(12-14-54)48-107-75(94)84-59-44-64(62(96-7)42-57(59)73(92)83-47-51(4)40-60(83)74(84)93)106-22-10-8-9-21-105-63-43-58-56(41-61(63)95-6)72(91)82-46-50(3)39-55(82)45-77-58/h11-16,41-47,49,52,55,60,69,74,93H,8-10,17-40,48H2,1-7H3,(H,76,85)(H,78,90)(H,79,89)(H,80,86)/t52-,55-,60-,69-,74-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C75H101N9O23
Molecular Weight	1496.6509
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 `Mon Mar 31 23:03:40 GMT 2025` Edited by `admin` on `Mon Mar 31 23:03:40 GMT 2025`
Record UNII	8DVQ435K46
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TESIRINE

Common Name

English

PBD-3249

Preferred Name

English

SG-3249

Code

English

L-ALANINAMIDE, N-(31-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)-1,29-DIOXO-4,7,10,13,16,19,22,25-OCTAOXA-28-AZAHENTRIACONT-1-YL)-L-VALYL-N-(4-(((((11S,11AS)-8-((5-(((11AS)-5,11A-DIHYDRO-7-METHOXY-2-METHYL-5-OXO-1H-PYRROLO(2,1-C)(1,4)BENZODIAZEPIN-8-YL)OXY)PE

Systematic Name

English

SG3249

Code

English

PBD3249

Code

English

Code System Code Type Description

FDA UNII

8DVQ435K46

Created by admin on Mon Mar 31 23:03:40 GMT 2025 , Edited by admin on Mon Mar 31 23:03:40 GMT 2025

PRIMARY

PUBCHEM

73672523

Created by admin on Mon Mar 31 23:03:40 GMT 2025 , Edited by admin on Mon Mar 31 23:03:40 GMT 2025

PRIMARY

SMS_ID

300000040791

Created by admin on Mon Mar 31 23:03:40 GMT 2025 , Edited by admin on Mon Mar 31 23:03:40 GMT 2025

PRIMARY

CAS

1595275-62-9

Created by admin on Mon Mar 31 23:03:40 GMT 2025 , Edited by admin on Mon Mar 31 23:03:40 GMT 2025

PRIMARY