NIPHIMYCIN E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C62H105N3O21
Molecular Weight	1228.5046
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC(=N)NCCC\C=C\CCC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](C)[C@H](O)\C=C\[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](O)CC[C@H](C)[C@@H](C[C@]2(O)O[C@@H](C[C@H](O)[C@H]2O)C[C@H](C[C@@H](O)C[C@@H](O)[C@H](C)[C@H](O)\C=C\C=C\[C@@H]1C)OC(=O)CC(O)=O)OC(=O)CC(O)=O

InChI

InChIKey=WFKYQJAZFRLVJR-XVVIHIPMSA-N

InChI=1S/C62H105N3O21/c1-35(18-14-12-10-11-13-17-25-65-61(63)64-9)26-39(5)58-38(4)19-15-16-20-46(67)40(6)50(71)28-43(66)27-44(83-56(78)32-54(74)75)29-45-30-52(73)59(80)62(82,86-45)34-53(84-57(79)33-55(76)77)37(3)22-24-47(68)41(7)51(72)31-49(70)36(2)21-23-48(69)42(8)60(81)85-58/h10-11,15-16,19-21,23,35-53,58-59,66-73,80,82H,12-14,17-18,22,24-34H2,1-9H3,(H,74,75)(H,76,77)(H3,63,64,65)/b11-10+,19-15+,20-16+,23-21+/t35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45+,46+,47-,48+,49+,50+,51-,52-,53+,58-,59+,62-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C62H105N3O21
Molecular Weight	1228.5046
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	22 / 22
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:05:32 GMT 2023` Edited by `admin` on `Sat Dec 16 17:05:32 GMT 2023`
Record UNII	DN4U6H92UQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NIPHIMYCIN E

Common Name

English

Code System Code Type Description

FDA UNII

DN4U6H92UQ

Created by admin on Sat Dec 16 17:05:32 GMT 2023 , Edited by admin on Sat Dec 16 17:05:32 GMT 2023

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PUBCHEM

155922987

Created by admin on Sat Dec 16 17:05:32 GMT 2023 , Edited by admin on Sat Dec 16 17:05:32 GMT 2023

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