N-ACETYL-.GAMMA.-CALICHEAMICIN DIMETHYLHYDRAZIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C61H84IN5O23S3
Molecular Weight	1478.439
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-ACETYL-.GAMMA.-CALICHEAMICIN DIMETHYLHYDRAZIDE

Structure Search

SMILES

CCN([C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@@H](O)[C@H](NO[C@H]3C[C@H](O)[C@H](SC(=O)C4=C(OC)C(OC)=C(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]5O)C(I)=C4C)[C@@H](C)O3)[C@@H](C)O[C@H]2O[C@H]6C#CC=CC#C[C@]7(O)CC(=O)C(NC(=O)OC)=C6C7=CCSSC(C)(C)CC(=O)NN)C(C)=O

InChI

InChIKey=URAOPNXILLDXAL-KJEDTADQSA-N

InChI=1S/C61H84IN5O23S3/c1-14-67(32(6)68)34-27-83-40(24-38(34)78-9)88-53-48(73)45(29(3)85-58(53)87-37-19-17-15-16-18-21-61(77)25-36(70)46(64-59(76)82-13)43(37)33(61)20-22-91-93-60(7,8)26-39(71)65-63)66-90-41-23-35(69)55(31(5)84-41)92-56(75)42-28(2)44(62)51(54(81-12)50(42)79-10)89-57-49(74)52(80-11)47(72)30(4)86-57/h15-16,20,29-31,34-35,37-38,40-41,45,47-49,52-53,55,57-58,66,69,72-74,77H,14,22-27,63H2,1-13H3,(H,64,76)(H,65,71)/b16-15-,33-20+/t29-,30+,31-,34+,35+,37+,38+,40+,41+,45-,47+,48+,49-,52-,53-,55-,57+,58+,61+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C61H84IN5O23S3
Molecular Weight	1478.439
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:04:36 GMT 2023` Edited by `admin` on `Sat Dec 16 14:04:36 GMT 2023`
Record UNII	3FJ2DCE5R2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-ACETYL-.GAMMA.-CALICHEAMICIN DIMETHYLHYDRAZIDE

Common Name

English

N-AC-.GAMMA.-CALICHEAMICIN DMH

Common Name

English

BUTANOIC ACID, 3-(((2E)-2-((1R,4Z,8S)-8-((2-O-(4-(ACETYLETHYLAMINO)-2,4-DIDEOXY-3-O-METHYL-.ALPHA.-L-THREO-PENTOPYRANOSYL)-4,6-DIDEOXY-4-(((2,4-DIDEOXY-4-S-(4-((6-DEOXY-3-O-METHYL-.ALPHA.-L-MANNOPYRANOSYL)OXY)-3-IODO-5,6-DIMETHOXY-2-METHYLBENZOYL)-4-THIO

Systematic Name

English

Code System Code Type Description

CAS

136185-00-7

Created by admin on Sat Dec 16 14:04:37 GMT 2023 , Edited by admin on Sat Dec 16 14:04:37 GMT 2023

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PUBCHEM

86567977

Created by admin on Sat Dec 16 14:04:37 GMT 2023 , Edited by admin on Sat Dec 16 14:04:37 GMT 2023

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FDA UNII

3FJ2DCE5R2

Created by admin on Sat Dec 16 14:04:37 GMT 2023 , Edited by admin on Sat Dec 16 14:04:37 GMT 2023

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