NIPHIMYCIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C59H103N3O18
Molecular Weight	1142.4584
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](O)C[C@]2(O)O[C@@H](C[C@H](O)[C@H]2O)C[C@@H](O)C[C@H](C[C@@H](O)[C@H](C)[C@H](O)\C=C\C=C\[C@@H]1C)OC(=O)CC(O)=O

InChI

InChIKey=XUFXJNAQSHPBTO-PWEYVSMXSA-N

InChI=1S/C59H103N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)29-43(78-54(74)32-53(72)73)27-42(63)28-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-21,24,34-52,55-56,63-71,75,77H,12-14,17-18,22-23,25-33H2,1-9H3,(H,72,73)(H3,60,61,62)/b11-10+,19-15+,20-16+,24-21+/t34-,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46-,47+,48+,49+,50-,51-,52+,55-,56+,59-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C59H103N3O18
Molecular Weight	1142.4584
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 17:31:08 GMT 2023` Edited by `admin` on `Sat Dec 16 17:31:08 GMT 2023`
Record UNII	75A6AXW959
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NIPHIMYCIN C

Common Name

English

Code System Code Type Description

FDA UNII

75A6AXW959

Created by admin on Sat Dec 16 17:31:08 GMT 2023 , Edited by admin on Sat Dec 16 17:31:08 GMT 2023

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PUBCHEM

155923170

Created by admin on Sat Dec 16 17:31:08 GMT 2023 , Edited by admin on Sat Dec 16 17:31:08 GMT 2023

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