FR-901379

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H82N8O21S
Molecular Weight	1175.303
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C4=CC=C(O)C(OS(O)(=O)=O)=C4)[C@H](O)CC(N)=O

InChI

InChIKey=KAPLTEIQCKDUAT-UYCSHIFKSA-N

InChI=1S/C51H82N8O21S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-30-22-34(64)47(72)57-49(74)41-42(67)26(2)24-59(41)51(76)39(33(63)23-36(52)65)55-48(73)40(44(69)43(68)28-18-19-32(62)35(20-28)80-81(77,78)79)56-46(71)31-21-29(61)25-58(31)50(75)38(27(3)60)54-45(30)70/h18-20,26-27,29-31,33-34,38-44,47,60-64,67-69,72H,4-17,21-25H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)(H,77,78,79)/t26-,27+,29+,30-,31-,33+,34+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C51H82N8O21S
Molecular Weight	1175.303
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:56:20 GMT 2025` Edited by `admin` on `Wed Apr 02 17:56:20 GMT 2025`
Record UNII	FD6BQE8LPV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR901379

Preferred Name

English

FR-901379

Code

English

Pneumocandin A0, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-

Systematic Name

English

L-Proline, (4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonyl-3-hydroxy-L-glutaminyl-3-hydroxy-4-methyl-, cyclic (6?1)-peptide, (2?,3?,4?)-

Systematic Name

English

1-[(4R,5R)-4,5-Dihydroxy-N2-(1-oxohexadecyl)-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]pneumocandin A0

Systematic Name

English

5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-palmitamidotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexa

Systematic Name

English

Code System Code Type Description

CAS

144371-88-0

Created by admin on Wed Apr 02 17:56:20 GMT 2025 , Edited by admin on Wed Apr 02 17:56:20 GMT 2025

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PUBCHEM

9876882

Created by admin on Wed Apr 02 17:56:20 GMT 2025 , Edited by admin on Wed Apr 02 17:56:20 GMT 2025

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FDA UNII

FD6BQE8LPV

Created by admin on Wed Apr 02 17:56:20 GMT 2025 , Edited by admin on Wed Apr 02 17:56:20 GMT 2025

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