(2S)-2-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-5-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]pentanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-5-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]pentanamide Openeye Name: (2S)-2-amino-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-5-[[(2S)-2-amino-3-phenyl-propanoyl]amino]pentanamide CAS Name: (2S)-2-amino-5-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-N-[(2S)-1-amino-1-oxopropan-2-yl]pentanamide IUPAC Name: (2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]pentanamide Traditional Name: (2S)-2-amino-N-[(1S)-2-amino-2-keto-1-methyl-ethyl]-5-[[(2S)-2-amino-3-phenyl-propanoyl]amino]valeramide Formula: C17H27N5O3 MolecularWeight: 349.42798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O3/c1-11(15(20)23)22-17(25)13(18)8-5-9-21-16(24)14(19)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,18-19H2,1H3,(H2,20,23)(H,21,24)(H,22,25)/t11-,13-,14-/m0/s1