NYSTATIN A3

Details

Stereochemistry	EPIMERIC
Molecular Formula	C53H85NO20
Molecular Weight	1056.2367
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 23
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]([H])(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](OC4C[C@@H](O)[C@@H](O)[C@H](C)O4)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2

InChI

InChIKey=IKYMLQOHQLVORI-PLAPNZKPSA-N

InChI=1S/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)/b7-6+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40+,41-,42-,44?,45+,46-,47-,48+,49-,50+,52-,53+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H85NO20
Molecular Weight	1056.2367
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	22 / 23
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:05 UTC 2023` Edited by `admin` on `Fri Dec 15 16:30:05 UTC 2023`
Record UNII	ZGT9EY838C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NYSTATIN A3

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C514