(2S,3S)-2-[[(2S)-2-[[(2S)-2-(3-azanylpropanoylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-(3-azanylpropanoylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-(3-aminopropanoylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[(3-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-(3-aminopropanoylamino)-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-(3-aminopropanoylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]-3-methyl-valeric acid Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CCN

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O5/c1-4-13(2)18(21(29)30)25-19(27)14(3)23-20(28)16(24-17(26)10-11-22)12-15-8-6-5-7-9-15/h5-9,13-14,16,18H,4,10-12,22H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)(H,29,30)/t13-,14-,16-,18-/m0/s1