(3S,7S,12R,26R,29R)-29-((4-(di-tert-butylfluorosilyl)benzamido)methyl)-5,10,17,20,28,31-hexaoxo-33-(4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl)-4-oxa-6,11,16,21,27,30-hexaazatritriacontane-1,3,7,12,26,33-hexacarboxylic acid

ID: ALA5277672

Chembl Id: CHEMBL5277672

Max Phase: Preclinical

Molecular Formula: C62H96FN11O26Si

Molecular Weight: 1458.59

Names and Identifiers

Canonical SMILES:  CC(C)(C)[Si](F)(c1ccc(C(=O)NC[C@@H](NC(=O)CC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)O[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)C(C)(C)C

Standard InChI:  InChI=1S/C62H96FN11O26Si/c1-61(2,3)101(63,62(4,5)6)38-14-12-37(13-15-38)53(87)66-33-42(68-48(78)32-43(58(95)96)74-30-28-72(35-51(83)84)26-24-71(34-50(81)82)25-27-73(29-31-74)36-52(85)86)54(88)69-40(56(91)92)10-7-8-22-64-45(75)19-20-46(76)65-23-9-11-39(55(89)90)67-47(77)18-16-41(57(93)94)70-60(99)100-44(59(97)98)17-21-49(79)80/h12-15,39-44H,7-11,16-36H2,1-6H3,(H,64,75)(H,65,76)(H,66,87)(H,67,77)(H,68,78)(H,69,88)(H,70,99)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)/t39-,40-,41+,42-,43?,44+/m1/s1

Standard InChI Key:  ITXNYWRJDUEJAQ-IPKWDALCSA-N

Alternative Forms

1. Parent:

   

   ALA5277672

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1458.59

Molecular Weight (Monoisotopic): 1457.6281

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References

1. Petrov SA, Zyk NY, Machulkin AE, Beloglazkina EK, Majouga AG..  (2021)  PSMA-targeted low-molecular double conjugates for diagnostics and therapy.,  225  [PMID:34464875] [10.1016/j.ejmech.2021.113752]

Source

Source(1):

• Scientific Literature