FOLATE-NOTA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H52N12O12
Molecular Weight	856.882
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)NCCOCCOCCNC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(O)=O)C=N2)C(=O)N1

InChI

InChIKey=MLSJZVIXINBZKN-MHZLTWQESA-N

InChI=1S/C37H52N12O12/c38-37-45-33-32(35(57)46-37)43-26(20-42-33)19-41-25-3-1-24(2-4-25)34(56)44-27(36(58)59)5-6-28(50)39-7-15-60-17-18-61-16-8-40-29(51)21-47-9-11-48(22-30(52)53)13-14-49(12-10-47)23-31(54)55/h1-4,20,27,41H,5-19,21-23H2,(H,39,50)(H,40,51)(H,44,56)(H,52,53)(H,54,55)(H,58,59)(H3,38,42,45,46,57)/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H52N12O12
Molecular Weight	856.882
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:38:43 UTC 2023` Edited by `admin` on `Sat Dec 16 14:38:43 UTC 2023`
Record UNII	79P23T269K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FOLATE-NOTA

Common Name

English

1H-1,4,7-TRIAZONINE-1,4(5H)-DIACETIC ACID, 7-((16S)-18-(4-(((2-AMINO-3,4-DIHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)PHENYL)-16-CARBOXY-2,13,18-TRIOXO-6,9-DIOXA-3,12,17-TRIAZAOCTADEC-1-YL)HEXAHYDRO-

Systematic Name

English

7-((16S)-18-(4-(((2-AMINO-3,4-DIHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)PHENYL)-16-CARBOXY-2,13,18-TRIOXO-6,9-DIOXA-3,12,17-TRIAZAOCTADEC-1-YL)HEXAHYDRO-1H-1,4,7-TRIAZONINE-1,4(5H)-DIACETIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

79P23T269K

Created by admin on Sat Dec 16 14:38:43 UTC 2023 , Edited by admin on Sat Dec 16 14:38:43 UTC 2023

PRIMARY

PUBCHEM

135565381

Created by admin on Sat Dec 16 14:38:43 UTC 2023 , Edited by admin on Sat Dec 16 14:38:43 UTC 2023

PRIMARY

CAS

1778691-88-5

Created by admin on Sat Dec 16 14:38:43 UTC 2023 , Edited by admin on Sat Dec 16 14:38:43 UTC 2023

PRIMARY