Products 103412-37-9
CAS 103412-37-9 is the registry number for B4148. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl] (2R,4S)-4-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[(2S)-2-amino-3-(4-hydroxythiophen-2-yl)propanoyl]-[2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-7-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-3-oxoheptanoate (CAS 103412-37-9) is a chemical compound with the molecular formula C62H95N19O14S2 and a molecular weight of 1394.7 g/mol. IUPAC name: [(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl] (2R,4S)-4-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[(2S)-2-amino-3-(4-hydroxythiophen-2-yl)propanoyl]-[2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-7-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-3-oxoheptanoate. InChIKey: HKNHKCVEWPZUNK-SZNSIZNJSA-N.
| Molecular formula | C62H95N19O14S2 |
|---|---|
| Molecular weight | 1394.7 g/mol |
| IUPAC name | [(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl] (2R,4S)-4-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[(2S)-2-amino-3-(4-hydroxythiophen-2-yl)propanoyl]-[2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-7-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-3-oxoheptanoate |
| InChIKey | HKNHKCVEWPZUNK-SZNSIZNJSA-N |
| SMILES | C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N(C(=O)[C@H](CC3=CC(=CS3)O)N)[C@](CCCN=C(N)N)(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)C(=O)OC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)N |
Computed by PubChem (NCBI)