(phenylmethyl) (4S)-5-azanyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate hydrochloride

Systemtic Name: (phenylmethyl) (4S)-5-azanyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate hydrochloride Openeye Name: benzyl (4S)-5-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate hydrochloride CAS Name: (4S)-5-amino-4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]pentanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl (4S)-5-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate hydrochloride Traditional Name: (4S)-5-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)valeric acid benzyl ester hydrochloride Formula: C27H29ClN2O4 MolecularWeight: 480.98316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(CN)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC[C@@H](CN)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.Cl

InChI

InChI=1S/C27H28N2O4.ClH/c28-16-20(14-15-26(30)32-17-19-8-2-1-3-9-19)29-27(31)33-18-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25;/h1-13,20,25H,14-18,28H2,(H,29,31);1H/t20-;/m0./s1