S-[4-[2,5-bis(azanyl)pentanoyl]naphthalen-2-yl] 2-azanyl-3-phenyl-propanethioate

Systemtic Name: S-[4-[2,5-bis(azanyl)pentanoyl]naphthalen-2-yl] 2-azanyl-3-phenyl-propanethioate Openeye Name: S-[4-(2,5-diaminopentanoyl)-2-naphthyl] 2-amino-3-phenyl-propanethioate CAS Name: 2-amino-3-phenylpropanethioic acid S-[4-(2,5-diamino-1-oxopentyl)-2-naphthalenyl] ester IUPAC Name: S-[4-(2,5-diaminopentanoyl)naphthalen-2-yl] 2-amino-3-phenylpropanethioate Traditional Name: 2-amino-3-phenyl-propanethioic acid S-[4-(2,5-diaminopentanoyl)-2-naphthyl] ester Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3C(=C2)C(=O)C(CCCN)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)SC2=CC3=CC=CC=C3C(=C2)C(=O)C(CCCN)N)N

InChI

InChI=1S/C24H27N3O2S/c25-12-6-11-21(26)23(28)20-15-18(14-17-9-4-5-10-19(17)20)30-24(29)22(27)13-16-7-2-1-3-8-16/h1-5,7-10,14-15,21-22H,6,11-13,25-27H2