methyl (2S)-2-[[(2R)-5-[bis(azanyl)methylideneamino]-2-[2-[1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-yl]oxyethanoylamino]pentanoyl]amino]-3-(4-prop-2-enoxyphenyl)propanoate hydrochloride

Systemtic Name: methyl (2S)-2-[[(2R)-5-[bis(azanyl)methylideneamino]-2-[2-[1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-yl]oxyethanoylamino]pentanoyl]amino]-3-(4-prop-2-enoxyphenyl)propanoate hydrochloride Openeye Name: methyl (2S)-2-[[(2R)-2-[[2-[[1-(2-allyloxy-1-naphthyl)-2-naphthyl]oxy]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-allyloxyphenyl)propanoate hydrochloride CAS Name: (2S)-2-[[(2R)-5-(diaminomethylideneamino)-1-oxo-2-[[1-oxo-2-[[1-(2-prop-2-enoxy-1-naphthalenyl)-2-naphthalenyl]oxy]ethyl]amino]pentyl]amino]-3-(4-prop-2-enoxyphenyl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[2-[1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-yl]oxyacetyl]amino]pentanoyl]amino]-3-(4-prop-2-enoxyphenyl)propanoate hydrochloride Traditional Name: (2S)-2-[[(2R)-2-[[2-[1-(2-allyloxy-1-naphthyl)-2-naphthoxy]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-allyloxyphenyl)propionic acid methyl ester hydrochloride Formula: C44H48ClN5O7 MolecularWeight: 794.33422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC=C)NC(=O)C(CCCN=C(N)N)NC(=O)COC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)OCC=C.Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OCC=C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)COC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)OCC=C.Cl

InChI

InChI=1S/C44H47N5O7.ClH/c1-4-25-54-32-20-16-29(17-21-32)27-36(43(52)53-3)49-42(51)35(15-10-24-47-44(45)46)48-39(50)28-56-38-23-19-31-12-7-9-14-34(31)41(38)40-33-13-8-6-11-30(33)18-22-37(40)55-26-5-2;/h4-9,11-14,16-23,35-36H,1-2,10,15,24-28H2,3H3,(H,48,50)(H,49,51)(H4,45,46,47);1H/t35-,36+;/m1./s1