Scopafungin

Details

Stereochemistry	RACEMIC
Molecular Formula	C59H103N3O18
Molecular Weight	1142.4584
Optical Activity	( + / - )
Defined Stereocenters	0 / 22
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(CCC\C=C\CCCN(C)C(N)=N)CC(C)C1OC(=O)C(C)C(O)\C=C\C(C)C(O)C(C)C(O)C(C)C(O)CCCC(O)CC2(O)OC(CC(O)C2O)CC(CC(O)CC(O)C(C)C(O)\C=C\C=C\C1C)OC(=O)CC(O)=O

InChI

InChIKey=RSODTZFJSFMTPQ-NBURPXERSA-N

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

HIDE SMILES / InChI

Molecular Formula	C59H103N3O18
Molecular Weight	1142.4584
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 22
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:53:55 UTC 2023` Edited by `admin` on `Sat Dec 16 09:53:55 UTC 2023`
Record UNII	LOE3K7R62G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Scopafungin

Official Name

English

ANTIBIOTIC DERIVED FROM STREPTOMYCES HYGROSCOPICUS VARIANT

Common Name

English

NIPHIMYCIN I.ALPHA.

Common Name

English

SCOPAFUNGIN [USAN]

Common Name

English

U-29479

Code

English

NSC-107041

Code

English

PROPANEDIOIC ACID, 1-(5,7,9,19,23,25,27,31,33,34,35-UNDECAHYDROXY-15-(11-((IMINO(METHYLAMINO)METHYL)AMINO)-1,3-DIMETHYL-7-UNDECEN-1-YL)-8,14,18,22,26,30-HEXAMETHYL-17-OXO-16,37-DIOXABICYCLO(31.3.1)HEPTATRIACONTA-10,12,20-TRIEN-3-YL) ESTER

Common Name

English

U-29,479

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C514