Name: XMT-1519 conjugate-1
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT217583170
Cas No:2720500-19-4
常用名:XMT-1519 conjugate-1
IUPAC:3-({5-carbamoyl-1-[(2E)-4-[6-carbamoyl-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-3H-imidazo[4,5-b]pyridin-3-yl]but-2-en-1-yl]-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-1H-1,3-benzodiazol-7-yl}oxy)propyl (2S)-2-[3-(2-{2-[(4S)-4-({[({[({[(26-{[(1S)-1,3-bis({[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl})propyl]carbamoyl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-4-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]butanamido]ethoxy}ethoxy)propanamido]propanoate
IUPAC:3-({5-carbamoyl-1-[(2E)-4-[6-carbamoyl-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-3H-imidazo[4,5-b]pyridin-3-yl]but-2-en-1-yl]-2-(4-ethyl-2-methyl-1,3-oxazole-5-amido)-1H-1,3-benzodiazol-7-yl}oxy)propyl (2S)-2-[3-(2-{2-[(4S)-4-({[({[({[(26-{[(1S)-1,3-bis({[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl})propyl]carbamoyl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-4-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]butanamido]ethoxy}ethoxy)propanamido]propanoate
InChI key:PNVXQAAGASVPRX-DXOQEFCWSA-N

分子式:C101H149N23O42
分子量:2357.422
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCc1nc(C)oc1C(=O)Nc1nc2cc(cnc2n1C\C=C\Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(cc(OCCCOC(=O)[C@H](C)NC(=O)CCOCCOCCNC(=O)CC[C@H](NC(=O)CN3C(=O)C=CC3=O)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c12)C(N)=O)C(N)=O
SMILES:CCc1nc(C)oc1C(=O)Nc1nc2cc(cnc2n1C\C=C\Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(cc(OCCCOC(=O)[C@H](C)NC(=O)CCOCCOCCNC(=O)CC[C@H](NC(=O)CN3C(=O)C=CC3=O)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c12)C(N)=O)C(N)=O

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