TAN-1057A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H25N9O3
Molecular Weight	355.3961
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN([C@H]1CNC(NC(N)=O)=NC1=O)C(=O)C[C@@H](N)CCCNC(N)=N

InChI

InChIKey=ZMWBCGMRXBPXEU-YUMQZZPRSA-N

InChI=1S/C13H25N9O3/c1-22(8-6-19-13(20-10(8)24)21-12(17)25)9(23)5-7(14)3-2-4-18-11(15)16/h7-8H,2-6,14H2,1H3,(H4,15,16,18)(H4,17,19,20,21,24,25)/t7-,8-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H25N9O3
Molecular Weight	355.3961
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:41:11 GMT 2023` Edited by `admin` on `Sat Dec 16 17:41:11 GMT 2023`
Record UNII	74EKN36H9V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAN-1057A

Code

English

(3S)-3-AMINO-N-((5S)-2-((AMINOCARBONYL)AMINO)-1,4,5,6-TETRAHYDRO-6-OXO-5-PYRIMIDINYL)-6-((AMINOIMINOMETHYL)AMINO)-N-METHYLHEXANAMIDE

Systematic Name

English

HEXANAMIDE, 3-AMINO-N-(2-((AMINOCARBONYL)AMINO)-1,4,5,6-TETRAHYDRO-4-OXO-5-PYRIMIDINYL)-6-((AMINOIMINOMETHYL)AMINO)-N-METHYL-, (S-(R*,R*))-

Systematic Name

English

HEXANAMIDE, 3-AMINO-N-((5S)-2-((AMINOCARBONYL)AMINO)-1,4,5,6-TETRAHYDRO-6-OXO-5-PYRIMIDINYL)-6-((AMINOIMINOMETHYL)AMINO)-N-METHYL-, (3S)-

Systematic Name

English

HEXANAMIDE, 3-AMINO-N-((5S)-2-((AMINOCARBONYL)AMINO)-1,4,5,6-TETRAHYDRO-4-OXO-5-PYRIMIDINYL)-6-((AMINOIMINOMETHYL)AMINO)-N-METHYL-, (3S)-

Systematic Name

English

Code System Code Type Description

CAS

128126-44-3