(2S)-2-[2-[[(2S)-2-(2-azanylethanoylamino)propanoyl]amino]ethanoylamino]-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanediamide

Systemtic Name: (2S)-2-[2-[[(2S)-2-(2-azanylethanoylamino)propanoyl]amino]ethanoylamino]-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanediamide Openeye Name: (2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetyl]amino]-N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanediamide CAS Name: (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]amino]-1-oxoethyl]amino]butanediamide IUPAC Name: (2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]acetyl]amino]-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-2-[[2-[[(2S)-2-(glycylamino)propanoyl]amino]acetyl]amino]succinamide Formula: C20H29N7O7 MolecularWeight: 479.48696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N7O7/c1-10(25-16(30)8-21)19(33)24-9-17(31)26-14(7-15(22)29)20(34)27-13(18(23)32)6-11-2-4-12(28)5-3-11/h2-5,10,13-14,28H,6-9,21H2,1H3,(H2,22,29)(H2,23,32)(H,24,33)(H,25,30)(H,26,31)(H,27,34)/t10-,13-,14-/m0/s1