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

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-butyl-amino]-2-(4,6-dimethoxynaphthalen-2-yl)sulfonyl-ethanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]-butyl-amino]-2-[(4,6-dimethoxy-2-naphthyl)sulfonyl]acetate CAS Name: (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-butylamino]-2-[(4,6-dimethoxy-2-naphthalenyl)sulfonyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-butylamino]-2-(4,6-dimethoxynaphthalen-2-yl)sulfonylacetate Traditional Name: (2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]-butyl-amino]-2-[(4,6-dimethoxy-2-naphthyl)sulfonyl]acetic acid tert-butyl ester Formula: C28H43N5O7S MolecularWeight: 593.73532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H43N5O7S/c1-7-8-14-33(24(34)22(29)10-9-13-32-27(30)31)25(26(35)40-28(2,3)4)41(36,37)20-15-18-11-12-19(38-5)16-21(18)23(17-20)39-6/h11-12,15-17,22,25H,7-10,13-14,29H2,1-6H3,(H4,30,31,32)/t22-,25-/m0/s1