CALICHEAMICIN .GAMMA.1I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H74IN3O21S4
Molecular Weight	1368.348
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@H](OC)[C@H](CO1)NCC)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@@]2([H])O[C@H]6C#CC=CC#C[C@]7(O)CC(=O)C(NC(=O)OC)=C6\C7=C/CSSSC

InChI

InChIKey=HXCHCVDVKSCDHU-PJKCJEBCSA-N

InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/b14-13-,29-18+/t26-,27+,28-,30+,31+,33+,34+,35+,36+,40-,42+,43+,44-,47-,48-,50-,52+,53+,55+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C55H74IN3O21S4
Molecular Weight	1368.348
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Nucleic Acid 3 Target ID: CHEMBL345 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22050291	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:40:57 GMT 2023` Edited by `admin` on `Sat Dec 16 09:40:57 GMT 2023`
Record UNII	99ZHU54I1K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALICHEAMICIN .GAMMA.1I

Common Name

English

LL-E-33288.GAMMA.1-I

Code

English

CALICHEAMICIN .GAMMA.1.ALPHA.I

Common Name

English

CALICHEMICIN .GAMMA.1

Common Name

English

CALICHEAMICIN GAMMA(1)I

Common Name

English

CALICHEAMICIN .GAMMA.1I [MI]

Common Name

English

Code System Code Type Description

CHEBI

3319