PHOTOBIOTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H35N9O4S
Molecular Weight	533.647
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)CCCNC3=CC=C(C=C3[N+]([O-])=O)N=[N+]=[N-]

InChI

InChIKey=BRLRJZRHRJEWJY-VCOUNFBDSA-N

InChI=1S/C23H35N9O4S/c1-31(12-4-10-25-17-9-8-16(29-30-24)14-19(17)32(35)36)13-5-11-26-21(33)7-3-2-6-20-22-18(15-37-20)27-23(34)28-22/h8-9,14,18,20,22,25H,2-7,10-13,15H2,1H3,(H,26,33)(H2,27,28,34)/t18-,20-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H35N9O4S
Molecular Weight	533.647
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:46:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:46:21 GMT 2025`
Record UNII	53LXX17EV4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHOTOBIOTIN

Common Name

English

EZ-LINK PHOTOACTIVATABLE BIOTIN

Preferred Name

English

(3AS,4S,6AR)-N-(3-((3-((4-AZIDO-2-NITROPHENYL)AMINO)PROPYL)METHYLAMINO)PROPYL)HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANAMIDE

Systematic Name

English

1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANAMIDE, N-(3-((3-((4-AZIDO-2-NITROPHENYL)AMINO)PROPYL)METHYLAMINO)PROPYL)HEXAHYDRO-2-OXO-, (3AS,4S,6AR)-

Systematic Name

English

Code System Code Type Description

CAS

96087-37-5