About benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate
benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate (PubChem CID 136910941) has the molecular formula C50H45N7O7
and a molecular weight of 855.95 g/mol. Its IUPAC name is benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate.
Analyze benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate with MolForge
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Frequently Asked Questions
What is the IUPAC name of benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate?
The IUPAC name of benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate (CID 136910941) is benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate.
What is the SMILES notation for benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate?
The canonical SMILES for benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate is COc1cc(-c2nc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CO)C(=O)OCc3ccccc3)cc3c2[nH]c2ccccc23)ccc1O.
What is the InChIKey of benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate?
The InChIKey is JLEPVULAASSPGR-BJKOEGOMSA-N. The full InChI is InChI=1S/C50H45N7O7/c1-63-44-23-30(19-20-43(44)59)46-47-36(35-15-7-10-18-39(35)54-47)24-45(57-46)53-40(21-31-25-51-37-16-8-5-13-33(31)37)48(60)55-41(22-32-26-52-38-17-9-6-14-34(32)38)49(61)56-42(27-58)50(62)64-28-29-11-3-2-4-12-29/h2-20,23-26,40-42,51-52,54,58-59H,21-22,27-28H2,1H3,(H,53,57)(H,55,60)(H,56,61)/t40-,41-,42-/m0/s1.
What are the key properties of benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate?
benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate has a molecular weight of 855.95 g/mol, XLogP of 7.03, 16 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoate is sourced from PubChem (CID 136910941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).