3-[(2S)-1-[6-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]propanamide

Systemtic Name: 3-[(2S)-1-[6-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]naphthalen-1-yl]carbonyl-3-oxidanylidene-piperazin-2-yl]propanamide Openeye Name: 3-[(2S)-1-[6-[[(2R)-2-amino-3-sulfanyl-propyl]amino]naphthalene-1-carbonyl]-3-oxo-piperazin-2-yl]propanamide CAS Name: 3-[(2S)-1-[[6-[[(2R)-2-amino-3-mercaptopropyl]amino]-1-naphthalenyl]-oxomethyl]-3-oxo-2-piperazinyl]propanamide IUPAC Name: 3-[(2S)-1-[6-[[(2R)-2-amino-3-sulfanylpropyl]amino]naphthalene-1-carbonyl]-3-oxopiperazin-2-yl]propanamide Traditional Name: 3-[(2S)-1-[6-[[(2R)-2-amino-3-mercapto-propyl]amino]-1-naphthoyl]-3-keto-piperazin-2-yl]propionamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CCC(=O)N)C(=O)C2=CC=CC3=C2C=CC(=C3)NCC(CS)N

Isomeric SMILES

C1CN([C@H](C(=O)N1)CCC(=O)N)C(=O)C2=CC=CC3=C2C=CC(=C3)NC[C@H](CS)N

InChI

InChI=1S/C21H27N5O3S/c22-14(12-30)11-25-15-4-5-16-13(10-15)2-1-3-17(16)21(29)26-9-8-24-20(28)18(26)6-7-19(23)27/h1-5,10,14,18,25,30H,6-9,11-12,22H2,(H2,23,27)(H,24,28)/t14-,18+/m1/s1