chempirical

Protein hydrolyzates, yeast

C29H29N3O3SCAS 100684-36-4499.63 g/mol

Open in Covalent MOL file
NONNSOO
EsterEtherIsothiocyanateLactoneTertiary amine

Properties

Molecular formula
C29H29N3O3S
Molar mass
499.63 g/mol
Exact mass
499.1930 Da
logP
6.68Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
7

Hazards

Not classified as hazardous under GHS by 106 ECHA notifiers. Aggregated from 106 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
100684-36-4
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=C(C=CC(=C5)N=C=S)C(=O)O3
InChIKey
OTFIRIMNKLNLIK-UHFFFAOYSA-N
InChI
InChI=1S/C29H29N3O3S/c1-5-31(6-2)20-10-13-23-26(16-20)34-27-17-21(32(7-3)8-4)11-14-24(27)29(23)25-15-19(30-18-36)9-12-22(25)28(33)35-29/h9-17H,5-8H2,1-4H3

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Work with Protein hydrolyzates, yeast

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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