ethyl 3-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-(2-methoxyethyl)amino]-3-(6,7-dimethoxynaphthalen-2-yl)sulfonyl-propanoate

Systemtic Name: ethyl 3-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-(2-methoxyethyl)amino]-3-(6,7-dimethoxynaphthalen-2-yl)sulfonyl-propanoate Openeye Name: ethyl 3-[[(2S)-2-amino-5-guanidino-pentanoyl]-(2-methoxyethyl)amino]-3-[(6,7-dimethoxy-2-naphthyl)sulfonyl]propanoate CAS Name: 3-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-(2-methoxyethyl)amino]-3-[(6,7-dimethoxy-2-naphthalenyl)sulfonyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(2-methoxyethyl)amino]-3-(6,7-dimethoxynaphthalen-2-yl)sulfonylpropanoate Traditional Name: 3-[[(2S)-2-amino-5-guanidino-pentanoyl]-(2-methoxyethyl)amino]-3-[(6,7-dimethoxy-2-naphthyl)sulfonyl]propionic acid ethyl ester Formula: C26H39N5O8S MolecularWeight: 581.68156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N5O8S/c1-5-39-24(32)16-23(31(11-12-36-2)25(33)20(27)7-6-10-30-26(28)29)40(34,35)19-9-8-17-14-21(37-3)22(38-4)15-18(17)13-19/h8-9,13-15,20,23H,5-7,10-12,16,27H2,1-4H3,(H4,28,29,30)/t20-,23?/m0/s1