(2S)-2-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-6-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]hexanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-6-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]hexanamide Openeye Name: (2S)-2-amino-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-6-[[(2S)-2-amino-3-phenyl-propanoyl]amino]hexanamide CAS Name: (2S)-2-amino-6-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-N-[(2S)-1-amino-1-oxopropan-2-yl]hexanamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanamide Traditional Name: (2S)-2-amino-N-[(1S)-2-amino-2-keto-1-methyl-ethyl]-6-[[(2S)-2-amino-3-phenyl-propanoyl]amino]hexanamide Formula: C18H29N5O3 MolecularWeight: 363.45456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C(CCCCNC(=O)C(CC1=CC=CC=C1)N)N

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)[C@H](CCCCNC(=O)[C@H](CC1=CC=CC=C1)N)N

InChI

InChI=1S/C18H29N5O3/c1-12(16(21)24)23-18(26)14(19)9-5-6-10-22-17(25)15(20)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,19-20H2,1H3,(H2,21,24)(H,22,25)(H,23,26)/t12-,14-,15-/m0/s1