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Chemical structure of Val-Cit-amide-Cbz-N(Me)-Maytansine

GC73715

Val-Cit-amide-Cbz-N(Me)-Maytansine

Also known as [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]propanoyl-methylamino]propanoate

Val-Cit-amide-Cbz-N(Me)-Maytansine is an antibody and bispecific antigen-binding mol· that bind hepatocyte growth factor receptor c-Met (MET) or antibody-drug conjugates (ADCs)

ChemicalCAS1628543-59-8MW1140.71FormulaC55H78ClN9O15
CAS number
1628543-59-8
Molecular weight
1140.71
Formula
C55H78ClN9O15
Solubility
DMSO ： 100 mg/mL (87·66 mM; Need ultrasonic)
InChIKey
WHRVZTYLCHEVBV-HIIFFYOTSA-N
Catalogue number
GC73715
Brand
GLPBIO
Computed properties PubChem CID 118700538 · XLogP 1.8 · TPSA 325 Ų · H-bond donors 7
XLogP
1.8
TPSA
325 Ų
H-bond donors
7
H-bond acceptors
16
Rotatable bonds
21
Heavy atoms
80

SMILES C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCN(C)C(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)N)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 118700538), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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