2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-(2-methoxyethyl)amino]-2-(7-methoxynaphthalen-2-yl)sulfonyl-ethanoic acid

Systemtic Name: 2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-(2-methoxyethyl)amino]-2-(7-methoxynaphthalen-2-yl)sulfonyl-ethanoic acid Openeye Name: 2-[[(2S)-2-amino-5-guanidino-pentanoyl]-(2-methoxyethyl)amino]-2-[(7-methoxy-2-naphthyl)sulfonyl]acetic acid CAS Name: 2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-(2-methoxyethyl)amino]-2-[(7-methoxy-2-naphthalenyl)sulfonyl]acetic acid IUPAC Name: 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(2-methoxyethyl)amino]-2-(7-methoxynaphthalen-2-yl)sulfonylacetic acid Traditional Name: 2-[[(2S)-2-amino-5-guanidino-pentanoyl]-(2-methoxyethyl)amino]-2-[(7-methoxy-2-naphthyl)sulfonyl]acetic acid Formula: C22H31N5O7S MolecularWeight: 509.57584

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C(C(=O)O)S(=O)(=O)C1=CC2=C(C=CC(=C2)OC)C=C1)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

COCCN(C(C(=O)O)S(=O)(=O)C1=CC2=C(C=CC(=C2)OC)C=C1)C(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C22H31N5O7S/c1-33-11-10-27(19(28)18(23)4-3-9-26-22(24)25)20(21(29)30)35(31,32)17-8-6-14-5-7-16(34-2)12-15(14)13-17/h5-8,12-13,18,20H,3-4,9-11,23H2,1-2H3,(H,29,30)(H4,24,25,26)/t18-,20?/m0/s1