Taltirelin

C₁₇H₂₃N₇O₅CAS 103300-74-9405.42 g/mol

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Amide Lactam

Properties

Molecular formula: C₁₇H₂₃N₇O₅
Molar mass: 405.42 g/mol
Exact mass: 405.1761 Da
Melting point: 72–75 °C
logP: -0.05Crippen estimate
Polar surface area: 178.6 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 6
Stereocentres: S, S, Sin SMILES atom order

Identifiers

CAS number

103300-74-9

SMILES

CN1C(=O)C[C@@H](C(O)=N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=N)O)N=C1O

InChIKey

LQZAIAZUDWIVPM-SRVKXCTJSA-N

InChI

InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12-/m0/s1

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Names and synonyms

5 names

L-Prolinamide, (4S)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-
L-Prolinamide, N-[(hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl]-L-histidyl-, (S)-
(4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarbonyl-L-histidyl-L-prolinamide
TA 0910
Ceredist

Work with Taltirelin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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

Elsewhere

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