(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-butyl-amino]-2-(4,6-dimethoxynaphthalen-2-yl)sulfonyl-ethanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-butyl-amino]-2-(4,6-dimethoxynaphthalen-2-yl)sulfonyl-ethanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]-butyl-amino]-2-[(4,6-dimethoxy-2-naphthyl)sulfonyl]acetic acid CAS Name: (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-butylamino]-2-[(4,6-dimethoxy-2-naphthalenyl)sulfonyl]acetic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-butylamino]-2-(4,6-dimethoxynaphthalen-2-yl)sulfonylacetic acid Traditional Name: (2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]-butyl-amino]-2-[(4,6-dimethoxy-2-naphthyl)sulfonyl]acetic acid Formula: C24H35N5O7S MolecularWeight: 537.629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN([C@H](C(=O)O)S(=O)(=O)C1=CC(=C2C=C(C=CC2=C1)OC)OC)C(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C24H35N5O7S/c1-4-5-11-29(21(30)19(25)7-6-10-28-24(26)27)22(23(31)32)37(33,34)17-12-15-8-9-16(35-2)13-18(15)20(14-17)36-3/h8-9,12-14,19,22H,4-7,10-11,25H2,1-3H3,(H,31,32)(H4,26,27,28)/t19-,22-/m0/s1