2-[2,5-bis(azanyl)pentanoyl-naphthalen-2-yl-amino]-4-methyl-pentanethioic S-acid

Systemtic Name: 2-[2,5-bis(azanyl)pentanoyl-naphthalen-2-yl-amino]-4-methyl-pentanethioic S-acid Openeye Name: 2-[2,5-diaminopentanoyl(2-naphthyl)amino]-4-methyl-pentanethioic S-acid CAS Name: 2-[(2,5-diamino-1-oxopentyl)-(2-naphthalenyl)amino]-4-methylpentanethioic S-acid IUPAC Name: 2-[2,5-diaminopentanoyl(naphthalen-2-yl)amino]-4-methylpentanethioic S-acid Traditional Name: 2-[2,5-diaminopentanoyl(2-naphthyl)amino]-4-methyl-thiovaleric acid Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)S)N(C1=CC2=CC=CC=C2C=C1)C(=O)C(CCCN)N

Isomeric SMILES

CC(C)CC(C(=O)S)N(C1=CC2=CC=CC=C2C=C1)C(=O)C(CCCN)N

InChI

InChI=1S/C21H29N3O2S/c1-14(2)12-19(21(26)27)24(20(25)18(23)8-5-11-22)17-10-9-15-6-3-4-7-16(15)13-17/h3-4,6-7,9-10,13-14,18-19H,5,8,11-12,22-23H2,1-2H3,(H,26,27)