(2S,4S)-1-[(2S)-2-azanyl-6-(naphthalen-2-ylamino)hexanoyl]-4-azido-pyrrolidine-2-carbonitrile

Systemtic Name: (2S,4S)-1-[(2S)-2-azanyl-6-(naphthalen-2-ylamino)hexanoyl]-4-azido-pyrrolidine-2-carbonitrile Openeye Name: (2S,4S)-1-[(2S)-2-amino-6-(2-naphthylamino)hexanoyl]-4-azido-pyrrolidine-2-carbonitrile CAS Name: (2S,4S)-1-[(2S)-2-amino-6-(2-naphthalenylamino)-1-oxohexyl]-4-azido-2-pyrrolidinecarbonitrile IUPAC Name: (2S,4S)-1-[(2S)-2-amino-6-(naphthalen-2-ylamino)hexanoyl]-4-azidopyrrolidine-2-carbonitrile Traditional Name: (2S,4S)-1-[(2S)-2-amino-6-(2-naphthylamino)hexanoyl]-4-azido-pyrrolidine-2-carbonitrile Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C#N)C(=O)C(CCCCNC2=CC3=CC=CC=C3C=C2)N)N=[N+]=[N-]

Isomeric SMILES

C1[C@@H](CN([C@@H]1C#N)C(=O)[C@H](CCCCNC2=CC3=CC=CC=C3C=C2)N)N=[N+]=[N-]

InChI

InChI=1S/C21H25N7O/c22-13-19-12-18(26-27-24)14-28(19)21(29)20(23)7-3-4-10-25-17-9-8-15-5-1-2-6-16(15)11-17/h1-2,5-6,8-9,11,18-20,25H,3-4,7,10,12,14,23H2/t18-,19-,20-/m0/s1