methyl (2S)-6-[bis(azanyl)methylideneamino]-2-[[(2S)-3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoate

Systemtic Name: methyl (2S)-6-[bis(azanyl)methylideneamino]-2-[[(2S)-3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-ethoxyphenyl)propanoyl]amino]-6-guanidino-hexanoate CAS Name: (2S)-6-(diaminomethylideneamino)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-(diaminomethylideneamino)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoate Traditional Name: (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-p-phenetyl-propanoyl]amino]-6-guanidino-hexanoic acid methyl ester Formula: C24H39N5O6 MolecularWeight: 493.59636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)NC(CCCCN=C(N)N)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN=C(N)N)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H39N5O6/c1-6-34-17-12-10-16(11-13-17)15-19(29-23(32)35-24(2,3)4)20(30)28-18(21(31)33-5)9-7-8-14-27-22(25)26/h10-13,18-19H,6-9,14-15H2,1-5H3,(H,28,30)(H,29,32)(H4,25,26,27)/t18-,19-/m0/s1