(Q82900546)

English

(2S)-N-[(4S,6S)-4-amino-7-(3-aminopropanoyl)-6-formyl-9-hydroxy-2,11-dimethyl-5,8-dioxo-7-phenyldodecan-6-yl]-2-hydroxy-N,4-dimethylpent-4-enamide

group of stereoisomers with the chemical formula C₃₁H₄₇N₃O₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

573.341400844 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₄₇N₃O₇

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canonical SMILES

O=CC(C(=O)C(N)CC(C)C)(N(C(=O)C(O)CC(=C)C)C)C(C(=O)CCN)(C(=O)C(O)CC(C)C)C=1C=CC=CC1

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isomeric SMILES

C=C(C)C[C@H](O)C(=O)N(C)[C@@](C=O)(C(=O)[C@@H](N)CC(C)C)C(C(=O)CCN)(C(=O)C(O)CC(C)C)c1ccccc1

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found in taxon

Hapsidospora irregularis

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stated in

Leualacin, a novel calcium blocker from Hapsidospora irregularis. I. Taxonomy, fermentation, isolation, physico-chemical and biological properties.

stated in

Leualacin, a novel calcium blocker from Hapsidospora irregularis. I. Taxonomy, fermentation, isolation, physico-chemical and biological properties.

stated in

Leualacin, a novel calcium blocker from Hapsidospora irregularis. I. Taxonomy, fermentation, isolation, physico-chemical and biological properties.

stated in

Leualacin, a novel calcium blocker from Hapsidospora irregularis. I. Taxonomy, fermentation, isolation, physico-chemical and biological properties.

Identifiers

InChI

InChI=1S/C31H47N3O7/c1-19(2)15-23(33)27(39)30(18-35,34(7)29(41)25(37)17-21(5)6)31(26(38)13-14-32,22-11-9-8-10-12-22)28(40)24(36)16-20(3)4/h8-12,18-20,23-25,36-37H,5,13-17,32-33H2,1-4,6-7H3/t23-,24?,25-,30-,31?/m0/s1

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InChIKey

ZPYMSTAWPQJBRU-DJQJIUKYSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID801354898

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(Q82900546)

(2S)-N-[(4S,6S)-4-amino-7-(3-aminopropanoyl)-6-formyl-9-hydroxy-2,11-dimethyl-5,8-dioxo-7-phenyldodecan-6-yl]-2-hydroxy-N,4-dimethylpent-4-enamide

Statements

Identifiers

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