ENNIATIN A1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H61N3O9
Molecular Weight	667.8735
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1([C@@H](C)CC)N(C)C(=O)[C@H](OC(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C

InChI

InChIKey=OWUREPXBPJFMOK-CIRFPNLUSA-N

InChI=1S/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H61N3O9
Molecular Weight	667.8735
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:58:07 UTC 2023` Edited by `admin` on `Fri Dec 15 17:58:07 UTC 2023`
Record UNII	39458RI529
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENNIATIN A1

Common Name

English

CYCLO((2R)-2-HYDROXY-3-METHYLBUTANOYL-N-METHYL-L-ISOLEUCYL-(2R)-2-HYDROXY-3-METHYLBUTANOYL-N-METHYL-L-ISOLEUCYL-(2R)-2-HYDROXY-3-METHYLBUTANOYL-N-METHYL-L-VALYL)

Common Name

English

Code System Code Type Description

PUBCHEM

57339253