N-(2-Amino-2-oxoethyl)-N-[(2S)-2-(3,5-dioxo-1-piperazinyl)propyl]-glycine - CAS 120418-76-0
Catalog: |
BB074788 |
Product Name: |
N-(2-Amino-2-oxoethyl)-N-[(2S)-2-(3,5-dioxo-1-piperazinyl)propyl]-glycine |
CAS: |
120418-76-0 |
Synonyms: |
N-(2-Amino-2-oxoethyl)-N-[(2S)-2-(3,5-dioxo-1-piperazinyl)propyl]-glycine; 2-[(2-amino-2-oxoethyl)-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]amino]acetic acid; (S)-N-(2-Amino-2-oxoethyl)-N-(2-(3,5-dioxopiperazin-1-yl)propyl)glycine; 2-[(carbamoylmethyl)[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]amino]acetic acid |
IUPAC Name: | 2-[(2-amino-2-oxoethyl)-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]amino]acetic acid |
Molecular Weight: | 286.28 |
Molecular Formula: | C11H18N4O5 |
Canonical SMILES: | CC(CN(CC(=O)N)CC(=O)O)N1CC(=O)NC(=O)C1 |
InChI: | InChI=1S/C11H18N4O5/c1-7(15-4-9(17)13-10(18)5-15)2-14(3-8(12)16)6-11(19)20/h7H,2-6H2,1H3,(H2,12,16)(H,19,20)(H,13,17,18)/t7-/m0/s1 |
InChI Key: | NMKSQOBSNDOTQH-ZETCQYMHSA-N |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.12771969 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.12771969 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 133Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -4.1 |
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