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

Systemtic Name: tert-butyl 3-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-(2-ethoxyethyl)amino]-3-(6,7-dimethoxynaphthalen-2-yl)sulfonyl-propanoate Openeye Name: tert-butyl 3-[[(2S)-2-amino-5-guanidino-pentanoyl]-(2-ethoxyethyl)amino]-3-[(6,7-dimethoxy-2-naphthyl)sulfonyl]propanoate CAS Name: 3-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-(2-ethoxyethyl)amino]-3-[(6,7-dimethoxy-2-naphthalenyl)sulfonyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-(2-ethoxyethyl)amino]-3-(6,7-dimethoxynaphthalen-2-yl)sulfonylpropanoate Traditional Name: 3-[[(2S)-2-amino-5-guanidino-pentanoyl]-(2-ethoxyethyl)amino]-3-[(6,7-dimethoxy-2-naphthyl)sulfonyl]propionic acid tert-butyl ester Formula: C29H45N5O8S MolecularWeight: 623.7613

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H45N5O8S/c1-7-41-14-13-34(27(36)22(30)9-8-12-33-28(31)32)25(18-26(35)42-29(2,3)4)43(37,38)21-11-10-19-16-23(39-5)24(40-6)17-20(19)15-21/h10-11,15-17,22,25H,7-9,12-14,18,30H2,1-6H3,(H4,31,32,33)/t22-,25?/m0/s1