[4-[(2S)-2-acetamido-3-[[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-oxopropyl]-2-phosphonophenyl]phosphonic acid
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![[4-[(2S)-2-acetamido-3-[[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-oxopropyl]-2-phosphonophenyl]phosphonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/747d525eef324dd38a52e508efdf99b6.png "[4-[(2S)-2-acetamido-3-[[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-oxopropyl]-2-phosphonophenyl]phosphonic acid")
[4-[(2S)-2-acetamido-3-[[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-oxopropyl]-2-phosphonophenyl]phosphonic acid
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CAS No:
268741-43-1
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Formula:
C30H41N3O10P2
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Chemical Name:
[4-[(2S)-2-acetamido-3-[[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-oxopropyl]-2-phosphonophenyl]phosphonic acid
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Synonyms:
AP 22408;AP22408;AP-22408;UNII-3U3L5QR4KV;268741-43-1;3U3L5QR4KV;[4-[(2S)-2-acetamido-3-[[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-oxopropyl]-2-phosphonophenyl]phosphonic acid;AP22408;CC1;SCHEMBL7245569;DB01830;Phosphonic acid, (4-((2S)-2-(acetylamino)-3-(((5S)-3-(aminocarbonyl)-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)amino)-3-oxopropyl)-1,2-phenylene)bis-;Phosphonic acid, P,P'-(4-((2S)-2-(acetylamino)-3-(((5S)-3-(aminocarbonyl)-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)amino)-3-oxopropyl)-1,2-phenylene)bis-;Q27258034;Nalpha-acetyl-N-[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphono-L-phenylalaninamide
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CAS No:
[4-[(2S)-2-acetamido-3-[[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-oxopropyl]-2-phosphonophenyl]phosphonic acid Basic Attributes
665.6 g/mol
665.22671851 g/mol
3U3L5QR4KV
Computed Properties
Molecular Weight:665.6
XLogP3:1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:665.22671851
Monoisotopic Mass:665.22671851
Topological Polar Surface Area:226
Heavy Atom Count:45
Complexity:1140
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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