4-[(2S)-2-azanyl-3-[1-[(2S)-2-azanyl-2-naphthalen-1-ylsulfonyl-ethanoyl]piperidin-2-yl]-3-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 4-[(2S)-2-azanyl-3-[1-[(2S)-2-azanyl-2-naphthalen-1-ylsulfonyl-ethanoyl]piperidin-2-yl]-3-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 4-[(2S)-2-amino-3-[1-[(2S)-2-amino-2-(1-naphthylsulfonyl)acetyl]-2-piperidyl]-3-oxo-propyl]benzamidine CAS Name: 4-[(2S)-2-amino-3-[1-[(2S)-2-amino-2-(1-naphthalenylsulfonyl)-1-oxoethyl]-2-piperidinyl]-3-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[(2S)-2-amino-3-[1-[(2S)-2-amino-2-naphthalen-1-ylsulfonylacetyl]piperidin-2-yl]-3-oxopropyl]benzenecarboximidamide Traditional Name: 4-[(2S)-2-amino-3-[1-[(2S)-2-amino-2-(1-naphthylsulfonyl)acetyl]-2-piperidyl]-3-keto-propyl]benzamidine Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)N)C(=O)C(N)S(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)[C@H](CC2=CC=C(C=C2)C(=N)N)N)C(=O)[C@@H](N)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H31N5O4S/c28-21(16-17-11-13-19(14-12-17)25(29)30)24(33)22-9-3-4-15-32(22)27(34)26(31)37(35,36)23-10-5-7-18-6-1-2-8-20(18)23/h1-2,5-8,10-14,21-22,26H,3-4,9,15-16,28,31H2,(H3,29,30)/t21-,22?,26-/m0/s1