N-[[1-(Aminoiminomethyl)-4-piperidinyl]methyl]-1-[N-(methylsulfonyl)-D-phenylalanyl]-L-prolinamide

HCID 70061377
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Basic information

Standard SMILES
CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(C=NN)CC1
InChIKey
JTDDPOAHVQPOGK-UXHICEINSA-N
Molecular formula
C22H34N6O4S
Average molar mass
478.6 g/mol

Names & identifiers

Preferred name
N-[[1-(Aminoiminomethyl)-4-piperidinyl]methyl]-1-[N-(methylsulfonyl)-D-phenylalanyl]-L-prolinamide
IUPAC
(2S)-N-[(1-methanehydrazonoylpiperidin-4-yl)methyl]-1-[(2R)-2-(methanesulfonamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Names & synonyms

SCHEMBL7346760JTDDPOAHVQPOGK-UXHICEINSA-NN-[[1-(Aminoiminomethyl)-4-piperidinyl]methyl]-1-[N-(methylsulfonyl)-D-phenylalanyl]-L-prolinamide

Database identifiers

PubChem CID
70061377

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
146 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
33

Related reactions

1 records
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Compound notes

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