PACTAMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38N4O8
Molecular Weight	558.6233
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)[C@]1(NC(=O)N(C)C)[C@@H](N)[C@H](NC2=CC(=CC=C2)C(C)=O)[C@](O)(COC(=O)C3=C(C)C=CC=C3O)[C@]1(C)O

InChI

InChIKey=WVIUOSJLUCTGFK-JUJPXXQGSA-N

InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)/t17-,22-,23-,26-,27+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H38N4O8
Molecular Weight	558.6233
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:02:11 GMT 2023` Edited by `admin` on `Fri Dec 15 15:02:11 GMT 2023`
Record UNII	18P04J5471
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PACTAMYCIN

Common Name

English

NSC-52947

Code

English

BENZOIC ACID, 2-HYDROXY-6-METHYL-, ((1S,2R,3R,4S,5S)-5-((3-ACETYLPHENYL)AMINO)-4-AMINO-3-(((DIMETHYLAMINO)CARBONYL)AMINO)-1,2-DIHYDROXY-3-((1S)-1-HYDROXYETHYL)-2-METHYLCYCLOPENTYL)METHYL ESTER

Systematic Name

English

PACTAMYCIN [MI]

Common Name

English

2,6-CRESOTIC ACID, MONOESTER WITH 3-(4-(M-ACETYLANILINO)-5-AMINO-2,3-DIHYDROXY-1-(1-HYDROXYETHYL)-2-(HYDROXYMETHYL)-3-METHYLCYCLOPENTYL)-1,1-DIMETHYLUREA

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50930863