3-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-(2-ethoxyethyl)amino]-3-(6,7-dimethoxynaphthalen-2-yl)sulfonyl-propanoic acid

Systemtic Name: 3-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-(2-ethoxyethyl)amino]-3-(6,7-dimethoxynaphthalen-2-yl)sulfonyl-propanoic acid Openeye Name: 3-[[(2S)-2-amino-5-guanidino-pentanoyl]-(2-ethoxyethyl)amino]-3-[(6,7-dimethoxy-2-naphthyl)sulfonyl]propanoic acid CAS Name: 3-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-(2-ethoxyethyl)amino]-3-[(6,7-dimethoxy-2-naphthalenyl)sulfonyl]propanoic acid IUPAC Name: 3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(2-ethoxyethyl)amino]-3-(6,7-dimethoxynaphthalen-2-yl)sulfonylpropanoic acid Traditional Name: 3-[[(2S)-2-amino-5-guanidino-pentanoyl]-(2-ethoxyethyl)amino]-3-[(6,7-dimethoxy-2-naphthyl)sulfonyl]propionic acid Formula: C25H37N5O8S MolecularWeight: 567.65498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N5O8S/c1-4-38-11-10-30(24(33)19(26)6-5-9-29-25(27)28)22(15-23(31)32)39(34,35)18-8-7-16-13-20(36-2)21(37-3)14-17(16)12-18/h7-8,12-14,19,22H,4-6,9-11,15,26H2,1-3H3,(H,31,32)(H4,27,28,29)/t19-,22?/m0/s1