CRYSTALLOMYCIN

Details

Stereochemistry	UNKNOWN
Molecular Formula	C58H91N13O20
Molecular Weight	1290.4182
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 12
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C)CCCCC\C=C\CC(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@H]([C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC2C(C)NC(=O)[C@H]3CCCCN3C2=O

InChI

InChIKey=AQZKCOXFXDOYRA-PVASSXKPSA-N

InChI=1S/C58H91N13O20/c1-8-31(4)18-13-11-9-10-12-14-21-40(72)64-36(26-45(79)80)56(89)69(7)39(27-46(81)82)54(87)65-35(25-44(77)78)51(84)60-28-41(73)63-34(24-43(75)76)50(83)61-29-42(74)66-48(32(5)59)55(88)67-47(30(2)3)57(90)71-23-17-20-38(71)53(86)68-49-33(6)62-52(85)37-19-15-16-22-70(37)58(49)91/h12,14,30-39,47-49H,8-11,13,15-29,59H2,1-7H3,(H,60,84)(H,61,83)(H,62,85)(H,63,73)(H,64,72)(H,65,87)(H,66,74)(H,67,88)(H,68,86)(H,75,76)(H,77,78)(H,79,80)(H,81,82)/b14-12+/t31?,32-,33?,34-,35-,36-,37+,38-,39-,47-,48+,49?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C58H91N13O20
Molecular Weight	1290.4182
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	9 / 12
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:16:59 GMT 2025` Edited by `admin` on `Mon Mar 31 23:16:59 GMT 2025`
Record UNII	0POY17YS6F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRYSTALLOMYCIN

Preferred Name

English

Code System Code Type Description

PUBCHEM

121492554

Created by admin on Mon Mar 31 23:16:59 GMT 2025 , Edited by admin on Mon Mar 31 23:16:59 GMT 2025

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CAS

37226-23-6

Created by admin on Mon Mar 31 23:16:59 GMT 2025 , Edited by admin on Mon Mar 31 23:16:59 GMT 2025

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FDA UNII

0POY17YS6F

Created by admin on Mon Mar 31 23:16:59 GMT 2025 , Edited by admin on Mon Mar 31 23:16:59 GMT 2025

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