2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid Formula: C20H29N5O7 MolecularWeight: 451.47356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O7/c1-11(18(30)23-9-15(27)22-10-16(28)29)24-20(32)17(12(2)26)25-19(31)14(21)8-13-6-4-3-5-7-13/h3-7,11-12,14,17,26H,8-10,21H2,1-2H3,(H,22,27)(H,23,30)(H,24,32)(H,25,31)(H,28,29)/t11-,12+,14-,17-/m0/s1